SCHEMBL3662834

SCHEMBL3662834

COc1ccccc1-c1cncc(-c2cc(CN)nc(-c3ccccn3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CHRNA7 P36544 4/20 0.40
GRM5 P41594 2/20 0.39
SYK P43405 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
FFAR1 O14842 1/20 0.39
SQOR Q9Y6N5 2/20 0.39
SREBF2 Q12772 1/20 0.38

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
SCHEMBL3663471 0.87 MEN1 (0.41) KDM4ENPC1GAARAB9ASMN1; SMN2
SCHEMBL2238514 0.86 FFAR1 (0.49) KDM4ENPC1TP53GAAPKM
SCHEMBL3665665 0.84 CYP19A1 (0.42) GAACYP11B1CYP11B2GRM5SYK
SCHEMBL3666895 0.83 NPC1 (0.47) NPC1GAAPKMRAB9ASMN1; SMN2
SCHEMBL3662480 0.79 CYP11B1 (0.43) NPC1PKMRAB9ASMN1; SMN2CYP11B1
SCHEMBL3663615 0.78 CCR1 (0.37) KDM4ENPC1TP53PKMRAB9A
SCHEMBL3727738 0.78 PIP4K2A (0.45) SYK
SCHEMBL3664993 0.77 CCR1 (0.34) KDM4ENPC1TP53PKMRAB9A
SCHEMBL3664279 0.75 LOXL2 (0.46) KCNH2
SCHEMBL2244963 0.74 HSP90AA1 (0.39) NPC1TP53RAB9ASMN1; SMN2HSD17B10

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 KDM4E 2074/4885NPC1 1909/4885TP53 1922/4885

“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.