SCHEMBL68164

SCHEMBL68164

COc1cc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccnc(NC3CCCCC3)n2)cnc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.44
EIF2AK2 P19525 1/20 0.42
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40

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
SCHEMBL69317 0.99 EIF2AK2 (0.43) MAPK14EIF2AK2MAPK8MAPK9MAPK10
SCHEMBL84214 0.90 CDK4 (0.40) MAPK14MAPK8MAPK9CDK1CDK4
SCHEMBL87859 0.87 CDK2 (0.45) MAPK14MAPK8MAPK9MAPK10CDK1
SCHEMBL67696 0.85 MAPK9 (0.44) MAPK14MAPK8MAPK9MAPTKDM4E
SCHEMBL69402 0.85 CDK2 (0.47) MAPK14MAPK8MAPK9MAPK10CDK1
SCHEMBL69453 0.85 CDK4 (0.48) MAPK8CDK1CDK4CCND1CDK2
SCHEMBL68690 0.85 CDK2 (0.47) MAPK14MAPK8MAPK9MAPK10CDK1
SCHEMBL68689 0.85 CDK2 (0.47) MAPK14MAPK8MAPK9MAPK10CDK1
SCHEMBL67727 0.85 CDK4 (0.48) MAPK8CDK1CDK4CCND1CDK2
SCHEMBL67728 0.85 CDK4 (0.48) MAPK8CDK1CDK4CCND1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 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 (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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS MAPK14 484/4885EIF2AK2 1680/4885MAPK8 181/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885EIF2AK2 1666/4885MAPK8 82/4885

“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.