SCHEMBL3729499

SCHEMBL3729499

CC(C)Nc1cc(-c2cncc(-c3ccc(C(=O)N4CC(C)NC(C)C4)cc3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.41
TGFBR1 P36897 2/20 0.41
MAPT P10636 1/20 0.40
MET P08581 1/20 0.39
CCNC P24863 4/20 0.39
CDK8 P49336 4/20 0.39
ABL1 P00519 3/20 0.39
BCR P11274 3/20 0.39
HPGD P15428 1/20 0.39
SLC6A7 Q99884 2/20 0.38
HTR2B P41595 1/20 0.38
MAP3K12 Q12852 1/20 0.38
TACR3 P29371 1/20 0.38
CYP1A2 P05177 1/20 0.38
NPY5R Q15761 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
SCHEMBL4174996 0.89 GHSR (0.43) GHSRTGFBR1MAPTCCNCCDK8
SCHEMBL3658377 0.86 ABL1 (0.45) TGFBR1ABL1BCRHPGDSLC6A7
SCHEMBL3725223 0.80 GHSR (0.45) GHSRMAPTABL1BCRSLC6A7
SCHEMBL3718285 0.79 CCNC (0.53) CCNCCDK8
SCHEMBL3719497 0.78 SYK (0.44) ABL1BCRSLC6A7
SCHEMBL3722403 0.77 CCNC (0.51) CCNCCDK8SLC6A7
SCHEMBL3725771 0.77 CCNC (0.53) CCNCCDK8ABL1BCR
SCHEMBL3721461 0.77 RIPK1 (0.48) TGFBR1ABL1BCRHPGDSLC6A7
SCHEMBL3726910 0.76 GHSR (0.46) GHSRABL1BCRSLC6A7MAP3K12
SCHEMBL3726132 0.76 ABL1 (0.48) ABL1BCRSLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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 (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-20090215776-A1 Organic compounds REN, RXFP1, MYLK GHSR 1251/4885TGFBR1 187/4885MAPT 2885/4885

“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.