SCHEMBL3980028

SCHEMBL3980028

Nc1ncnc2snc(-c3ccc4ccc(-c5ccccn5)nc4c3F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.43
▸ TGFBR1 P36897 4/20 0.37
▸ PADI1 Q9ULC6 1/20 0.37
▸ PADI3 Q9ULW8 1/20 0.37
▸ PADI4 Q9UM07 1/20 0.37
▸ PADI2 Q9Y2J8 1/20 0.37
▸ IGF1R P08069 10/20 0.36
▸ INSR P06213 3/20 0.36
▸ MAP4K4 O95819 2/20 0.35
▸ FLT1 P17948 2/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35
▸ MET P08581 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ FGFR1 P11362 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
SCHEMBL3980741 0.87 KDR (0.47) KDRIGF1RINSRMAP4K4FLT1
SCHEMBL3978986 0.85 KDR (0.50) KDRTGFBR1PADI1PADI3PADI4
SCHEMBL4247951 0.84 PADI1 (0.40) TGFBR1PADI1PADI3PADI4PADI2
SCHEMBL3985483 0.77 KDR (0.52) KDRTGFBR1IGF1RINSRMAP4K4
SCHEMBL3979285 0.74 KDR (0.44) KDRTGFBR1PADI1PADI3PADI4
SCHEMBL3980068 0.73 KDR (0.42) KDRIGF1RMAP4K4FLT1DAPK3
SCHEMBL397858 0.72 SRC (0.39) KDRTGFBR1IGF1RINSRABL1
SCHEMBL397857 0.71 SRC (0.56) KDRIGF1RINSRFLT1ABL1
SCHEMBL3978833 0.71 KDR (0.62) KDRIGF1RINSRMAP4K4FLT1
SCHEMBL5630365 0.71 KDM4E (0.40) TGFBR1PADI1PADI3PADI4PADI2

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-7566721-B2 Substituted thienol[2,3-d]pyrimidines as kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-07-28 — — US disclosed
EP-2051982-A1 6,6-BICYCLIC RING SUBSTITUTED SULFUR CONTAINING HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2009-04-29 — — EP disclosed
WO-2008018881-A1 6,6-BICYCLIC RING SUBSTITUTED SULFUR CONTAINING HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2008-02-14 — — WO disclosed
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC., 2007-02-08 — — 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-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors IGF1R, BRCA1, MAP2K6 KDR 2130/4885TGFBR1 216/4885PADI1 2717/4885

“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.

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