SCHEMBL3721674

SCHEMBL3721674

c1cncc(-c2cc(NCCc3c[nH]c4ccccc34)nc(-c3ccco3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.53
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
USP2 O75604 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 3/20 0.48
CLK4 Q9HAZ1 3/20 0.48
CYP2C9 P11712 2/20 0.48
HTR6 P50406 2/20 0.48
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45

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
SCHEMBL3725518 0.87 GBA1 (0.52) GBA1CDK4CCND1USP2CYP1A2
SCHEMBL3721977 0.84 GBA1 (0.55) GBA1CDK4CCND1USP2CYP1A2
SCHEMBL3720240 0.84 GBA1 (0.55) GBA1CDK4CCND1USP2CYP1A2
SCHEMBL3721336 0.83 GBA1 (0.54) GBA1CDK4CCND1USP2CYP1A2
SCHEMBL3716388 0.82 CDK4 (0.53) GBA1CDK4CCND1USP2CYP1A2
SCHEMBL3724117 0.81 MCL1 (0.40) CDK4CCND1USP2CYP1A2CYP3A4
SCHEMBL3715061 0.81 GBA1 (0.55) GBA1CDK4CCND1USP2CYP1A2
SCHEMBL3726838 0.81 GBA1 (0.51) GBA1CDK4CCND1USP2CYP1A2
SCHEMBL3721967 0.80 CYP1A2 (0.54) GBA1CDK4CCND1USP2CYP1A2
SCHEMBL4176797 0.78 PTGDR (0.46) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9

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 GBA1 3582/4885CDK4 1396/4885CCND1 920/4885

“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.