SCHEMBL84452

SCHEMBL84452

CC(C)c1ccnc(N[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
BRAF P15056 1/20 0.47
IKBKB O14920 12/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK8 P45983 2/20 0.43
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
CHUK O15111 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
GAA P10253 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
SCHEMBL15185727 0.87 MAPK1 (0.50) MAPK1BRAFIKBKBPOLBMEN1
SCHEMBL84374 0.83 HRH4 (0.40) BRAFIKBKBCCNE1CDK2
SCHEMBL84447 0.81 BRAF (0.43) MAPK1BRAFIKBKBMAPK8CCNE1
SCHEMBL84453 0.78 IKBKB (0.54) IKBKBCCNE1CDK2
SCHEMBL15181306 0.77 MAPK1 (0.49) MAPK1BRAFIKBKBPOLBUSP2
SCHEMBL1090292 0.75 CXCR4 (0.47) MAPK1BRAFIKBKBPOLBMEN1
SCHEMBL1090644 0.75 HRH4 (0.46) MAPK1BRAFIKBKBPOLBMEN1
SCHEMBL14340205 0.73 BRAF (0.86) BRAFIKBKB
SCHEMBL84414 0.73 CDK1 (0.54) MAPK8CCNE1CDK2MAPK9GAA
SCHEMBL1090475 0.72 ALDH1A1 (0.55) MAPK1IKBKBMEN1KMT2AMAPK8

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 6 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-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-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

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 MAPK1 507/4885BRAF 1/4885IKBKB 541/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK1 215/4885BRAF 1/4885IKBKB 345/4885

“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.