SCHEMBL3389640

SCHEMBL3389640

Cc1ccc(-c2cnccn2)c(C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
TGFBR1 P36897 1/20 0.33
GRM5 P41594 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL2474598 0.79 NPC1 (0.43) HTTCYP1A2TGFBR1GRM5HSD17B10
SCHEMBL2470502 0.76 DYRK1B (0.38) ALDH1A1HTTTGFBR1
SCHEMBL19207088 0.76 CCR1 (0.47) TGFBR1GRM5MAPK1
SCHEMBL7915364 0.76 MBOAT4 (0.47) ALDH1A1HTTRECQLMEN1KMT2A
SCHEMBL262916 0.73 CLK4 (0.36) ALDH1A1GRM5HSD17B10
SCHEMBL2474490 0.73 CCR1 (0.52) TGFBR1
SCHEMBL3387027 0.72 USP8 (0.36) ALDH1A1TGFBR1
SCHEMBL30775027 0.72 USP8 (0.36) ALDH1A1TGFBR1
SCHEMBL2473010 0.72 GRM5 (0.34) WNT3ATGFBR1GRM5
SCHEMBL31372672 0.71 PIM2 (0.40) ALDH1A1MEN1KMT2ACDC7DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B WNT3A 585/4885ALDH1A1 882/4885HTT 927/4885

“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.