SCHEMBL8931374

SCHEMBL8931374

C=C1Cc2ccccc2CN1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.39
PNMT P11086 1/20 0.38
CD44 P16070 1/20 0.38
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR5A P47898 2/20 0.34
CYP2A6 P11509 1/20 0.33
HSD17B3 P37058 1/20 0.33
PRCP P42785 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL88899 0.71 ALOX15 (0.56) ALOX15HSD17B10CA12CA9CYP1A2
SCHEMBL2087881 0.71 ALOX15 (1.00) ALOX15HSD17B10CA12CA9CYP1A2
SCHEMBL31546300 0.71 ALOX15 (1.00) ALOX15HSD17B10CA12CA9CYP1A2
SCHEMBL20932667 0.71 ALOX15 (0.56) ALOX15HSD17B10CA12CA9CYP1A2
SCHEMBL89023 0.71 ALOX15 (0.56) ALOX15HSD17B10CA12CA9CYP1A2
SCHEMBL12903036 0.69 ALDH1A1 (0.33) ALOX15HSD17B10PNMTGAA
SCHEMBL19939638 0.69 ALOX15 (0.58) ALOX15HSD17B10CYP1A2PNMTCD44
SCHEMBL4574632 0.68 CYP1A2 (0.50) ALOX15HSD17B10CYP1A2MAOBCYP2A6
SCHEMBL29795304 0.68 CYP1A2 (0.50) ALOX15HSD17B10CYP1A2MAOBCYP2A6
SCHEMBL14061414 0.67 CA12 (0.56) ALOX15HSD17B10CA12CA9CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827642-B2 Compositions useful for treating disorders related to KIT BLUEPRINT MEDICINES CORPORATION (US) 2023-11-28 US disclosed
US-20230129944-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2023-04-27 US disclosed
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-04-27 US disclosed
US-10035789-B2 Compounds useful for treating disorders related to RET BLUEPRINT MEDICINES CORPORATION (US) 2018-07-31 US disclosed
US-10000496-B2 Compositions useful for treating disorders related to kit and PDGFR BLUEPRINT MEDICINES CORPORATION (US) 2018-06-19 US disclosed
US-20180030032-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO RET BLUEPRINT MEDICINES CORPORATION 2018-02-01 US disclosed
US-20180022731-A1 2-(PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES AS RET INHIBITORS BLUEPRINT MEDICINES CORPORATION 2018-01-25 US disclosed
US-20180022732-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO RET BLUEPRINT MEDICINES CORPORATION 2018-01-25 US disclosed
US-20170174652-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION 2017-06-22 US disclosed
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-03-02 US disclosed
US-20170022206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT AND PDFGR BLUEPRINT MEDICINES CORPORATION 2017-01-26 US disclosed
US-9434700-B2 Inhibitors of the fibroblast growth factor receptor BLUEPRINT MEDICINES CORPORATION 2016-09-06 US disclosed
US-9334263-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-05-10 US disclosed
US-9200002-B2 Compositions useful for treating disorders related to KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-12-01 US disclosed
US-20150119405-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION (US) 2015-04-30 US disclosed
US-20150111887-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2015-04-23 US disclosed
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10035789-B2 Compounds useful for treating disorders related to RET RET, EYA2, HRAS ALOX15 4275/4885HSD17B10 1700/4885CA12 4575/4885
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP ALOX15 4656/4885HSD17B10 3457/4885CA12 2523/4885
US-20170022206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT AND PDFGR KIT, PDGFRA, PDGFRB ALOX15 3353/4885HSD17B10 2645/4885CA12 4853/4885
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B ALOX15 3075/4885HSD17B10 1508/4885CA12 4826/4885
US-20180030032-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO RET RET, EYA2, HRAS ALOX15 4275/4885HSD17B10 1700/4885CA12 4575/4885
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B ALOX15 3075/4885HSD17B10 1508/4885CA12 4826/4885
US-20150111887-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, APC, MSH2 ALOX15 4391/4885HSD17B10 1575/4885CA12 4449/4885
US-10000496-B2 Compositions useful for treating disorders related to kit and PDGFR KIT, PDGFRA, PDGFRB ALOX15 3817/4885HSD17B10 2463/4885CA12 4536/4885
US-20180022732-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO RET RET, EYA2, HRAS ALOX15 4275/4885HSD17B10 1700/4885CA12 4575/4885
US-20170174652-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR FGFR4, FGFR1, FGFR2 ALOX15 2595/4885HSD17B10 2863/4885CA12 4348/4885
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CCR6, CCR1, CCR3 ALOX15 2978/4885HSD17B10 1676/4885CA12 2758/4885
US-20150119405-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR FGFR4, FGFR1, FGFR2 ALOX15 2595/4885HSD17B10 2863/4885CA12 4348/4885
US-20180022731-A1 2-(PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES AS RET INHIBITORS RET, MECP2, RB1 ALOX15 4746/4885HSD17B10 4386/4885CA12 4850/4885
US-11827642-B2 Compositions useful for treating disorders related to KIT KIT, APC, MSH2 ALOX15 4391/4885HSD17B10 1575/4885CA12 4449/4885
US-20230129944-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, APC, MSH2 ALOX15 4391/4885HSD17B10 1575/4885CA12 4449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.