SCHEMBL3980027

SCHEMBL3980027

Cc1cc(-c2ccccc2)nc2cc(-c3nsc4ncnc(N)c34)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.50
FLT1 P17948 5/20 0.45
KIT P10721 4/20 0.45
TEK Q02763 4/20 0.45
FLT4 P35916 3/20 0.45
PPARG P37231 2/20 0.44
NR2E3 Q9Y5X4 2/20 0.44
NCOR2 Q9Y618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MCL1 Q07820 1/20 0.44
LIMK1 P53667 2/20 0.40
MAP4K4 O95819 2/20 0.40
LCK P06239 2/20 0.40
CSF1R P07333 2/20 0.40
RET P07949 2/20 0.40
FGFR1 P11362 2/20 0.40
CLK2 P49760 2/20 0.40
GSK3B P49841 2/20 0.40
RPS6KA3 P51812 2/20 0.40

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
SCHEMBL3978975 0.89 KDR (0.47) KDRFLT1KITTEKFLT4
SCHEMBL3977004 0.84 PPARG (0.47) KDRFLT1KITTEKFLT4
SCHEMBL3985507 0.84 KDR (0.55) KDRFLT1KITTEKFLT4
SCHEMBL3977506 0.81 KDR (0.59) KDRFLT1KITTEKFLT4
SCHEMBL3980068 0.81 KDR (0.42) KDRFLT1KITTEKFLT4
SCHEMBL3985483 0.74 KDR (0.52) KDRFLT1KITTEKFLT4
SCHEMBL399078 0.74 SRC (0.47) KDRPPARGNR2E3NCOR2KDM4E
SCHEMBL399077 0.74 PIK3CD (0.62) KDRLCKLYNABL1BTK
SCHEMBL401046 0.72 PIK3CD (0.53) KDRLCKLYNABL1BTK
SCHEMBL3979887 0.71 KDR (0.67) KDRFLT1KITTEKFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC., 2007-02-08 US claimed
US-7566721-B2 Substituted thienol[2,3-d]pyrimidines as kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-07-28 US 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 2130/4885FLT1 1532/4885KIT 1042/4885

“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.