SCHEMBL13860477

SCHEMBL13860477

COc1cc(I)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.54
SLC6A4 P31645 19/20 0.54
KCNH2 Q12809 17/20 0.54
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL13857896 0.81 HTR2A (0.61) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL28075653 0.80 TP53 (0.48)
SCHEMBL5862483 0.79 HTR2A (0.54) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL121871 0.77 HTR2A (0.50) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4686356 0.77 GAA (0.43)
SCHEMBL27999639 0.76 TTR (0.58)
SCHEMBL364754 0.75 SLC6A4 (0.64) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL13860469 0.75 HSD17B10 (0.54) HTR2ASLC6A4KCNH2
SCHEMBL17050487 0.75 SLC6A4 (0.49) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL31277237 0.74 CA2 (0.54)

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed
US-9572811-B2 Treatment of dry eye PRINCIPIA BIOPHARMA INC. (US) 2017-02-21 US disclosed
CN-103717602-B Kinase inhibitors 加利福尼亚大学董事会 2016-11-09 CN disclosed
EP-2710005-B1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2016-10-05 EP disclosed
CN-103534258-B Tyrosine kinase inhibitor 普林斯匹亚生物制药公司 2016-09-14 CN disclosed
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 US disclosed
US-9376438-B2 Pyrazolopyrimidine derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2016-06-28 US disclosed
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PRINCIPIA BIOPHARMA INC. 2016-02-18 US disclosed
US-20150353562-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 US disclosed
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 US disclosed
US-8759358-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-06-24 US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 US disclosed
EP-2710005-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2014-03-26 EP disclosed
EP-2710007-A2 KINASE INHIBITORS The Regents of the University of California (US) 2014-03-26 EP disclosed
US-8673925-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-03-18 US disclosed
WO-2014022569-A1 TREATMENT OF DRY EYE PRINCIPIA BIOPHARMA INC. (US) 2014-02-06 WO disclosed
WO-2013191965-A1 REVERSIBLE COVALENT PYRROLO- OR PYRAZOLOPYRIMIDINES USEFUL FOR THE TREATMENT CANCER AND AUTOIMMUNE DISEASES PRINCIPIA BIOPHARMA INC. (US) 2013-12-27 WO disclosed
WO-2012158764-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 WO disclosed
WO-2012158795-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 WO disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 WO 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 (5 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-20150353557-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK HTR2A 3214/4885SLC6A4 1273/4885KCNH2 4680/4885
US-20150353562-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK HTR2A 3214/4885SLC6A4 1273/4885KCNH2 4680/4885
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PTMS, SSB, HDAC6 HTR2A 3610/4885SLC6A4 3846/4885KCNH2 4362/4885
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK HTR2A 1278/4885SLC6A4 1053/4885KCNH2 4318/4885
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK HTR2A 1278/4885SLC6A4 1053/4885KCNH2 4318/4885

“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.