SCHEMBL589410

SCHEMBL589410

CN(C)Cc1nccn1-c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.44
F10 P00742 17/20 0.41
F2 P00734 3/20 0.41
ABL1 P00519 1/20 0.41
F9 P00740 2/20 0.38
CTRB1 P17538 2/20 0.38
F5 P12259 1/20 0.38
PROC P04070 1/20 0.37
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL22729958 0.93 NR2E1 (0.39) NR2E1F10F2ABL1F9
SCHEMBL4269788 0.85 NR2E1 (0.47) NR2E1F10F2ABL1KDM4E
SCHEMBL710630 0.78 NR2E1 (0.54) NR2E1F10F2KDM4EALDH1A1
SCHEMBL5395497 0.78 F10 (0.43) F10F2F9CTRB1F5
SCHEMBL6258733 0.76 MAPT (0.40) F10F2F9CTRB1F5
SCHEMBL16361760 0.71 CYP3A4 (0.43) F10ALDH1A1
SCHEMBL1028976 0.71 F10 (0.45) F10F2F9CTRB1F5
SCHEMBL8268238 0.70 F10 (0.43) F10F2KDM4EALDH1A1
SCHEMBL1098395 0.69 F10 (0.40) F10F2ABL1
SCHEMBL30950869 0.68 TACR1 (0.40) NR2E1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS USA INC (US) 2025-11-27 US disclosed
US-20220081440-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. 2022-03-17 US disclosed
EP-3747441-A1 BICYCLIC HETEROARYL COMPOUNDS ARIAD Pharmaceuticals, Inc. (US) 2020-12-09 EP disclosed
US-20200231588-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2020-07-23 US disclosed
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2019-01-31 US disclosed
EP-3417912-A1 BICYCLIC HETEROARYL COMPOUNDS ARIAD Pharmaceuticals, Inc. (US) 2018-12-26 EP disclosed
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2017-12-28 US disclosed
US-20160368917-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMA INC (US) 2016-12-22 US disclosed
US-9278971-B2 Substituted acetylenic pyrazolo[1,5-a]pyrimidines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
EP-2024366-B1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2015-09-16 EP disclosed
US-20120135986-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-05-31 US disclosed
US-8114874-B2 Substituted acetylenic imidazo[1,2-B]pyridazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 US disclosed
EP-2023933-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2009-02-18 EP disclosed
WO-2007133560-A9 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2008-11-13 WO disclosed
EP-1973545-A2 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2008-10-01 EP disclosed
WO-2007133560-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-11-22 WO disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 US disclosed
WO-2007075869-A2 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-07-05 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 (10 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-20090149471-A1 Monocyclic Heterocyclic Compounds CYP11B2, CYP3A5, CYP1A2 NR2E1 1868/4885F10 1139/4885F2 123/4885
US-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA NR2E1 1890/4885F10 1611/4885F2 785/4885
US-20220081440-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 NR2E1 2434/4885F10 2850/4885F2 4077/4885
US-20160368917-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 NR2E1 1806/4885F10 1700/4885F2 124/4885
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 NR2E1 2434/4885F10 2850/4885F2 4077/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 NR2E1 1806/4885F10 1700/4885F2 124/4885
US-20200231588-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 NR2E1 1806/4885F10 1700/4885F2 124/4885
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS CYP3A43, CYP2F1, CYP11B2 NR2E1 1748/4885F10 1796/4885F2 168/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 NR2E1 1806/4885F10 1700/4885F2 124/4885
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 NR2E1 2434/4885F10 2850/4885F2 4077/4885

“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.