SCHEMBL15185727

SCHEMBL15185727

Cc1ccnc(N[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
BRAF P15056 1/20 0.49
IKBKB O14920 9/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK8 P45983 1/20 0.45
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
LMNA P02545 1/20 0.43
KCNH2 Q12809 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL84452 0.87 MAPK1 (0.48) MAPK1BRAFIKBKBPOLBSMN1; SMN2
SCHEMBL13524640 0.82 HRH4 (0.42) BRAFIKBKBSMN1; SMN2ALDH1A1CCNE1
SCHEMBL15181306 0.81 MAPK1 (0.49) MAPK1BRAFIKBKBPOLBSMN1; SMN2
SCHEMBL13524735 0.80 BRAF (0.45) MAPK1BRAFIKBKBMAPK8CDK2
SCHEMBL15185736 0.80 BRAF (0.45) MAPK1BRAFIKBKBMAPK8CDK2
SCHEMBL1090292 0.78 CXCR4 (0.47) MAPK1BRAFIKBKBPOLBALDH1A1
SCHEMBL1090644 0.77 HRH4 (0.46) MAPK1BRAFIKBKBPOLBALDH1A1
SCHEMBL13524608 0.76 IKBKB (0.57) IKBKBCCNE1CDK2
SCHEMBL14340205 0.75 BRAF (0.86) BRAFIKBKB
SCHEMBL2745344 0.75 BRAF (0.71) MAPK1BRAFIKBKBMAPK8CDK2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.