Sugi Predict

Sugi Predict / Compounds / SCHEMBL84447

SCHEMBL84447

SCHEMBL84447

COc1cc(-c2ccc(S(=O)(=O)N3CCC[C@@H](Nc4nccc(C(C)C)n4)C3)cc2)cnc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.43
▸ IKBKB O14920 10/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ MAPK8 P45983 2/20 0.39
▸ CHUK O15111 2/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ P2RX3 P56373 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CDK4 P11802 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ MAPK1 P28482 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
SCHEMBL15185736 0.90 BRAF (0.45) BRAFIKBKBKCNH2MAPK8CHUK
SCHEMBL13524735 0.90 BRAF (0.45) BRAFIKBKBKCNH2MAPK8CHUK
SCHEMBL16181400 0.88 BRAF (0.43) BRAFIKBKBKCNH2MAPK8CHUK
SCHEMBL15181305 0.81 BRAF (0.45) BRAFIKBKBMAPK8CHUKMAPK9
SCHEMBL84452 0.81 MAPK1 (0.48) BRAFIKBKBMAPK8CHUKMAPK9
SCHEMBL67762 0.80 BRAF (0.44) BRAFIKBKBMAPK8CHUKMAPK9
SCHEMBL67761 0.80 BRAF (0.44) BRAFIKBKBMAPK8CHUKMAPK9
SCHEMBL91336 0.76 BRAF (0.42) BRAFIKBKBMAPK8CHUKMAPK9
SCHEMBL69212 0.76 BRAF (0.41) BRAFIKBKBKCNH2MAPK8CHUK
SCHEMBL68897 0.76 BRAF (0.41) BRAFIKBKBKCNH2MAPK8CHUK

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 BRAF 1/4885IKBKB 541/4885KCNH2 4723/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS BRAF 1/4885IKBKB 345/4885KCNH2 4229/4885

“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.