SCHEMBL4370037

SCHEMBL4370037

CCCc1nc2c(C)ccnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.41
KDM4C Q9H3R0 1/20 0.40
CCNB2 O95067 6/20 0.38
CDK1 P06493 6/20 0.38
CCNB1 P14635 6/20 0.38
GSK3A P49840 6/20 0.38
GSK3B P49841 6/20 0.38
CCNB3 Q8WWL7 6/20 0.38
CDK5 Q00535 4/20 0.38
CDK5R1 Q15078 4/20 0.38
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CCNE2 O96020 1/20 0.37
INSR P06213 1/20 0.37
CFTR P13569 1/20 0.37
CCNA2 P20248 1/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37

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
SCHEMBL8875881 0.90 GSK3B (0.44) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL4370028 0.86 ADORA1 (0.41) NOS2CDK1GSK3AGSK3BCDK2
SCHEMBL20197285 0.85 GSK3A (0.42) NOS2KDM4CCCNB2CDK1CCNB1
SCHEMBL8972110 0.82 KDM4C (0.39) KDM4CCCNB2CDK1CCNB1GSK3A
SCHEMBL28836229 0.81 CCR1 (0.34) NOS2CCNB2CDK1CCNB1GSK3A
SCHEMBL7832083 0.81 KDM4E (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
Hydrochloric Acid SCHEMBL28836198 0.80 CYP1A2 (0.35) NOS2CCNB2CDK1CCNB1GSK3A
SCHEMBL16544507 0.80 KDM4C (0.38) KDM4CCCNB2CDK1CCNB1GSK3A
SCHEMBL3950341 0.79 GSK3B (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL6317646 0.78 LRRK2 (0.33) CDK2PARP1PARP2CCR1CCR5

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed
EP-1988091-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2015-06-10 EP disclosed
US-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES LLC 2015-03-05 US disclosed
US-8242151-B2 Tricyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-14 US disclosed
US-20090176760-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-09 US disclosed
EP-1988091-A1 TRICYCLIC COMPOUNDS Kyowa Hakko Kogyo Co., Ltd (JP) 2008-11-05 EP disclosed
EP-0480204-B1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO (JP) 1996-03-20 EP disclosed
US-5332744-A Hypotensive, congestive heart failure, intraocular pressure MERCK & CO., INC. (US) 1994-07-26 US disclosed
WO-1994011369-A1 ANTIHYPERTENSIVE 5-[(IMIDAZO[4,5-b]PYRIDIN-3-YL)METHYL]BENZOFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-05-26 WO disclosed
US-5215994-A Treating or preventing hypertension or heart failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
US-5210092-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5157026-A Oxo-purines as angiotensin II antagonists MERCK & CO., INC. (US) 1992-10-20 US disclosed
EP-0480204-A1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
US-5102880-A Biphenyl imidazotriazine derivatives; Hypotensive and cardiotonic agents MERCK & CO., INC. (US) 1992-04-07 US disclosed
EP-0400974-A2 Substituted imidazo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1990-12-05 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 (2 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-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRAS, VHL, ESRRB NOS2 4681/4885KDM4C 3165/4885CCNB2 166/4885
US-20090176760-A1 TRICYCLIC COMPOUNDS PPARG, PPARD, PPARA NOS2 3349/4885KDM4C 1453/4885CCNB2 2558/4885

“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.