SCHEMBL3723915

SCHEMBL3723915

CC(C)Nc1cc(-c2cncc(C#CCN3CCN(C(C)(C)C)CC3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
GRM5 P41594 3/20 0.35
FFAR1 O14842 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
PRKD1 Q15139 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31
PIK3CD O00329 2/20 0.31
PIK3R1 P27986 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CB P42338 2/20 0.31
CHEK1 O14757 1/20 0.31
PIK3C3 Q8NEB9 2/20 0.31
PIK3CG P48736 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
PRKCH P24723 1/20 0.31
GPR4 P46093 1/20 0.30
GPR39 O43194 1/20 0.30

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
SCHEMBL3724032 0.87 GPR39 (0.39) CYP1A2GRM5CYP2D6GPR39
SCHEMBL3718360 0.82 TGFBR1 (0.41) CYP1A2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3729038 0.81 DRD2 (0.37) CYP1A2FFAR1
SCHEMBL3720880 0.80 GPR39 (0.38) GRM5LMNACYP2D6PIK3CDPIK3R1
SCHEMBL3726295 0.79 ACHE (0.42) GRM5PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3716806 0.77 FYN (0.34) LMNA
SCHEMBL3721182 0.77 GRM5 (0.36) GRM5LMNACYP2D6PIK3CDPIK3R1
SCHEMBL3715527 0.72 DRD2 (0.40) PIK3CDPIK3R1PIK3CAPIK3CBCHEK1
SCHEMBL3659080 0.72 CYP1A2 (0.45) CYP1A2GRM5FFAR1LMNAPRKD1
SCHEMBL3717702 0.72 IRAK1 (0.44) CYP1A2FFAR1LMNACHEK1TRPM8

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 CYP1A2 616/4885GRM5 4235/4885FFAR1 256/4885

“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.