SCHEMBL4823513

SCHEMBL4823513

c1ncn(CCc2cnc3[nH]ccc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.50
KDR P35968 1/20 0.50
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
CDK8 P49336 4/20 0.39
KLKB1 P03952 4/20 0.39
AXL P30530 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RIPK1 Q13546 1/20 0.37
KLK1 P06870 1/20 0.37
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11990128 0.72 KDR (0.66) FGFR1KDRPIK3CDPIK3CAPIK3CB
SCHEMBL4562744 0.72 CDK8 (0.65) FGFR1KDRPIK3CDPIK3CAPIK3CB
SCHEMBL19891723 0.70 KDR (0.62) FGFR1KDRPIK3CDPIK3CAPIK3CB
SCHEMBL298969 0.69 KDR (0.51) FGFR1KDRCDK8AXLSLC6A4
SCHEMBL3263731 0.69 KDR (0.61) FGFR1KDRPIK3CDPIK3CAPIK3CB
SCHEMBL24240780 0.69 KDR (0.56) FGFR1KDRPIK3CDPIK3CAPIK3CB
SCHEMBL1869919 0.69 CDK8 (0.63) FGFR1KDRPIK3CDPIK3CAPIK3CB
SCHEMBL91324 0.69 KDR (0.60) FGFR1KDRPIK3CDPIK3CAPIK3CB
SCHEMBL29858603 0.69 KDR (0.60) FGFR1KDRPIK3CDPIK3CAPIK3CB
SCHEMBL14638748 0.69 KDR (0.56) FGFR1KDRPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 FGFR1 1140/4885KDR 2229/4885PIK3CD 64/4885

“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.