SCHEMBL3977004

SCHEMBL3977004

Cc1cc(-c2ccccc2)nc2nc(-c3nsc4ncnc(N)c34)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.47
NR2E3 Q9Y5X4 3/20 0.47
NCOR2 Q9Y618 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MCL1 Q07820 2/20 0.47
POLB P06746 1/20 0.47
KDR P35968 7/20 0.45
ADK P55263 2/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.42
PTK2B Q14289 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
LIMK1 P53667 2/20 0.41
FLT1 P17948 3/20 0.41
KIT P10721 2/20 0.41
FLT4 P35916 2/20 0.41

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
SCHEMBL3980027 0.84 KDR (0.50) PPARGNR2E3NCOR2KDM4EMCL1
SCHEMBL3982004 0.83 KDR (0.52) PPARGNR2E3NCOR2KDM4EMCL1
SCHEMBL3980068 0.82 KDR (0.42) PPARGNR2E3NCOR2KDM4EMCL1
SCHEMBL3976145 0.81 RET (0.57) PPARGNR2E3NCOR2KDM4EMCL1
SCHEMBL3978975 0.73 KDR (0.47) PPARGNR2E3NCOR2KDM4EMCL1
SCHEMBL3985507 0.73 KDR (0.55) PPARGNR2E3NCOR2KDM4EMCL1
SCHEMBL11492413 0.71 ADORA1 (0.59) PPARGNR2E3NCOR2KDM4EMCL1
SCHEMBL3985456 0.70 KDR (0.45) PPARGNR2E3NCOR2KDM4EMCL1
SCHEMBL3980741 0.70 KDR (0.47) KDRHPGDPTK2BCYP1A2CYP2C9
SCHEMBL3977506 0.69 KDR (0.59) PPARGNR2E3NCOR2KDM4EMCL1

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 PPARG 2697/4885NR2E3 2850/4885NCOR2 1881/4885

“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.