SCHEMBL937211

SCHEMBL937211

N#Cc1cccc(-c2nnc3ccc(Cl)nn23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DYRK3 O43781 2/20 0.43
CCNT1 O60563 2/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CDK9 P50750 2/20 0.43
CDK5 Q00535 2/20 0.43
DYRK1A Q13627 2/20 0.43
CDK5R1 Q15078 2/20 0.43
DYRK2 Q92630 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
EGLN2 Q96KS0 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
BRD4 O60885 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL24401671 0.81 DPP4 (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10CYP1A2
SCHEMBL32665417 0.81 DYRK3 (0.58) KDM4EALDH1A1SMN1; SMN2DYRK3CCNT1
SCHEMBL15365501 0.79 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2DYRK3CCNT1
SCHEMBL12874554 0.79 DYRK3 (0.60) KDM4EALDH1A1SMN1; SMN2DYRK3CCNT1
SCHEMBL938269 0.79 GABRG2 (0.53) KDM4EALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL103269 0.78 DYRK1A (0.71) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL5619274 0.78 PIM1 (0.63) KDM4ESMN1; SMN2CDK2HSD17B10CLK4
SCHEMBL4784567 0.78 BRD4 (0.65) KDM4EALDH1A1SMN1; SMN2CDK2DYRK1A
SCHEMBL937443 0.76 DPP4 (0.50) KDM4EALDH1A1HSD17B10BRD4MET
SCHEMBL15365361 0.76 PIM1 (0.62) KDM4EALDH1A1SMN1; SMN2CDK2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
US-7173033-B2 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
CN-1281606-C Nitrogen-containing heterocyclic compound YAMANOUCHI PHARMA CO LTD (JP) 2006-10-25 CN disclosed
US-20060173009-A1 Agent inducing increase in bone mass ASTELLAS PHARMA INC. (JP) 2006-08-03 US disclosed
EP-1640010-A1 AGENT INDUCING INCREASE IN BONE MASS Astellas Pharma Inc. (JP) 2006-03-29 EP disclosed
US-20050261297-A1 Nitrogen-containing heterocyclic compound YAMANOUCHI PHARMACEUTICAL CO., LTD 2005-11-24 US disclosed
CN-1639164-A Nitrogen-containing heterocyclic compound YAMANOUCHI PHARMA CO LTD (JP) 2005-07-13 CN disclosed
US-20050096322-A1 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2005-05-05 US disclosed
EP-1481977-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-12-01 EP 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-20050096322-A1 Nitrogen-containing heterocyclic compound BMP2, BMP1, BMP4 KDM4E 2532/4885ALDH1A1 3344/4885SMN1; SMN2 1838/4885
US-20050261297-A1 Nitrogen-containing heterocyclic compound BMP2, BMP1, BMP4 KDM4E 2532/4885ALDH1A1 3344/4885SMN1; SMN2 1838/4885
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 KDM4E 2541/4885ALDH1A1 2432/4885SMN1; SMN2 1673/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 KDM4E 2541/4885ALDH1A1 2432/4885SMN1; SMN2 1673/4885
US-20060173009-A1 Agent inducing increase in bone mass SOST, CALCB, BMP4 KDM4E 2584/4885ALDH1A1 4157/4885SMN1; SMN2 3403/4885

“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.