SCHEMBL4100971

SCHEMBL4100971

COc1ccc(-c2ccc3ncncc3n2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.52
PDGFRA P16234 3/20 0.52
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
FGFR4 P22455 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 4/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGFR P00533 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
YES1 P07947 1/20 0.40
PIM1 P11309 1/20 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
SCHEMBL4112486 0.89 KDM4E (0.57) PDGFRBPDGFRAKDM4EMAPTFGFR4
SCHEMBL4108596 0.85 KDM4E (0.45) PDGFRBPDGFRAKDM4EMAPTFGFR4
SCHEMBL4106517 0.85 FGFR4 (0.51) PDGFRBPDGFRAKDM4EFGFR4RAB9A
SCHEMBL4119442 0.84 NPC1 (0.56) PDGFRBKDM4EMAPTFGFR4RAB9A
SCHEMBL4114410 0.83 SMN1; SMN2 (0.48) PDGFRBPDGFRAKDM4EMAPTFGFR4
SCHEMBL4113208 0.83 KDM4E (0.48) PDGFRBPDGFRAKDM4EMAPTFGFR4
SCHEMBL4111880 0.83 FYN (0.53) KDM4EMAPTFGFR4RAB9ANPC1
SCHEMBL4113678 0.82 SMN1; SMN2 (0.47) PDGFRBPDGFRAKDM4EMAPTFGFR4
SCHEMBL4113268 0.78 KDM4E (0.43) PDGFRBPDGFRAKDM4EFGFR4RAB9A
SCHEMBL4108135 0.78 KDM4E (0.43) PDGFRBPDGFRAKDM4EFGFR4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (2 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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDGFRB 199/4885PDGFRA 292/4885KDM4E 2789/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDGFRB 199/4885PDGFRA 292/4885KDM4E 2789/4885

“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.