SCHEMBL2473010

SCHEMBL2473010

Cc1ccc(-c2cccnn2)c(C#N)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
WNT3A P56704 1/20 0.34
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
CHEK1 O14757 1/20 0.33
ABL1 P00519 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
GRK5 P34947 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
CDK8 P49336 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PRKX P51817 1/20 0.33
NEK2 P51955 1/20 0.33
LIMK1 P53667 1/20 0.33
MAP2K1 Q02750 1/20 0.33
PRKCQ Q04759 1/20 0.33

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
SCHEMBL2474490 0.80 CCR1 (0.52) CCR1CCR8LRRK2TGFBR1CYP2A6
SCHEMBL2474598 0.79 NPC1 (0.43) GRM5CCR1CCR8TGFBR1TDP1
SCHEMBL262916 0.73 CLK4 (0.36) GRM5CHEK1ABL1PDGFRBPDGFRA
SCHEMBL2470502 0.73 DYRK1B (0.38) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL3389640 0.72 WNT3A (0.35) GRM5WNT3ATGFBR1
SCHEMBL2473544 0.71 DHODH (0.40) GRM5WNT3ACCR1CCR8TGFBR1
SCHEMBL19207088 0.70 CCR1 (0.47) GRM5CCR1CCR8TGFBR1CYP2A6
SCHEMBL22636984 0.69 EGLN2 (0.43) GRM5
SCHEMBL3984954 0.69 CCR1 (0.67) GRM5CCR1CCR8TGFBR1HTR2C
SCHEMBL3389130 0.68 USP8 (0.38) USP8USP7L3MBTL1

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-2370426-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) 2011-10-05 EP disclosed
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 GRM5 163/4885WNT3A 585/4885CCR1 3456/4885

“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.