SCHEMBL4113268

SCHEMBL4113268

COc1ccc(-c2ccc3ncncc3n2)cc1OCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4D Q08499 4/20 0.43
FPR2 P25090 1/20 0.41
MAP3K11 Q16584 1/20 0.40
PDE4A P27815 5/20 0.40
FGFR3 P22607 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
FGFR4 P22455 1/20 0.40
KMO O15229 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PDPK1 O15530 1/20 0.38
SYK P43405 1/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL4108135 0.96 KDM4E (0.43) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4112486 0.86 KDM4E (0.57) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4114410 0.85 SMN1; SMN2 (0.48) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4113208 0.80 KDM4E (0.48) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4113678 0.79 SMN1; SMN2 (0.47) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4100971 0.78 PDGFRB (0.52) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4106517 0.77 FGFR4 (0.51) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4108596 0.77 KDM4E (0.45) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4111880 0.77 FYN (0.53) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4118212 0.71 KCNH2 (0.50) KDM4ENPC1RAB9AFGFR4KMO

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 KDM4E 2789/4885NPC1 2905/4885ALDH1A1 1225/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP KDM4E 2789/4885NPC1 2905/4885ALDH1A1 1225/4885

“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.