SCHEMBL219540

SCHEMBL219540

C[C@H](N)c1ncc(F)cn1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.33
JAK2 O60674 4/20 0.33
JAK3 P52333 3/20 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
SCHEMBL219272 1.00 APLNR (0.33) APLNRJAK2JAK3
SCHEMBL12067749 1.00 APLNR (0.33) APLNRJAK2JAK3
Hydrochloric Acid SCHEMBL1693931 0.98 APLNR (0.33) APLNRJAK2JAK3
Hydrochloric Acid SCHEMBL218361 0.98 APLNR (0.33) APLNRJAK2JAK3
Hydrochloric Acid SCHEMBL219928 0.98 APLNR (0.33) APLNRJAK2JAK3
SCHEMBL2625465 0.79 PTGS1 (0.36) APLNRJAK2JAK3
SCHEMBL13943922 0.77 APLNR (0.54) APLNR
SCHEMBL14677407 0.77 APLNR (0.54) APLNR
SCHEMBL23230046 0.75 CHRNA7 (0.33) APLNR
SCHEMBL14846893 0.75 ADRB2 (0.41) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092778-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS AND METHODS PYRAMID BIOSCIENCES INC (US) 2024-03-21 US disclosed
CN-116782883-A Topical pharmaceutical compositions and methods 金字塔生物科技公司 2023-09-19 CN disclosed
WO-2022144758-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS AND METHODS PYRAMID BIOSCIENCES, INC. (US) 2022-07-07 WO disclosed
WO-2022144758-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS AND METHODS PYRAMID BIOSCIENCES, INC. (US) 2022-07-07 WO disclosed
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-10759793-B2 2-(pyrazolopyridin-3-yl)pyrimidine derivatives as JAK inhibitors ALMIRALL, S.A. (ES) 2020-09-01 US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 US disclosed
US-20180162856-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2018-06-14 US disclosed
EP-3307272-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS Almirall, S.A. (ES) 2018-04-18 EP disclosed
WO-2017220431-A1 FUSED PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2017-12-28 WO disclosed
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 US disclosed
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 US disclosed
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-06-24 US disclosed
WO-2010038060-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2009150462-A1 TRICYCLIC 2,4-DIAMIN0-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-17 WO disclosed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
US-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1945631-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-07-23 EP disclosed
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 US disclosed
WO-2007049041-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-05-03 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 (9 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-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK APLNR 920/4885JAK2 341/4885JAK3 697/4885
US-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ABL1, FLT3, ERBB2 APLNR 2812/4885JAK2 35/4885JAK3 13/4885
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 APLNR 3174/4885JAK2 3527/4885JAK3 3652/4885
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 APLNR 2812/4885JAK2 35/4885JAK3 13/4885
US-20240092778-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS AND METHODS CUTA, IL5, S100A8 APLNR 3112/4885JAK2 716/4885JAK3 43/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 APLNR 2972/4885JAK2 3427/4885JAK3 3605/4885
US-20180162856-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK2, JAK3, JAK1 APLNR 4233/4885JAK2 1/4885JAK3 2/4885
US-10759793-B2 2-(pyrazolopyridin-3-yl)pyrimidine derivatives as JAK inhibitors JAK2, JAK3, JAK1 APLNR 4233/4885JAK2 1/4885JAK3 2/4885
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS THPO, MPL, MCL1 APLNR 1494/4885JAK2 6/4885JAK3 188/4885

“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.