SCHEMBL4114292

SCHEMBL4114292

O=C(NCc1ccccc1Cl)N1CCN(c2nc(CCl)nc3ccc(-c4ccc(F)cc4)nc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
P2RY12 Q9H244 3/20 0.42
MAPT P10636 2/20 0.41
KIT P10721 7/20 0.39
EPHX2 P34913 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PKM P14618 1/20 0.38
DGAT1 O75907 2/20 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
SCHEMBL4102987 0.93 TP53 (0.43) TP53MAPTKITPDE4APDE4B
SCHEMBL4113600 0.91 P2RY12 (0.44) TP53P2RY12MAPTKITPDE4A
SCHEMBL4101731 0.90 PDGFRB (0.45) TP53MAPTPKM
SCHEMBL4122502 0.90 TP53 (0.54) TP53KIT
SCHEMBL4113239 0.90 PDE4A (0.45) TP53MAPTKITPDE4APDE4B
SCHEMBL4113419 0.89 PDE4A (0.49) TP53P2RY12MAPTKITEPHX2
SCHEMBL4108871 0.88 KIT (0.49) TP53P2RY12KIT
SCHEMBL4118578 0.87 KIT (0.53) TP53P2RY12MAPTKITPDE4A
SCHEMBL4113636 0.86 KIT (0.46) TP53P2RY12MAPTKITPDE4A
SCHEMBL4114339 0.86 P2RY12 (0.47) TP53P2RY12KIT

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-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
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 (3 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 TP53 1977/4885P2RY12 82/4885MAPT 1541/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP TP53 1977/4885P2RY12 82/4885MAPT 1541/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP TP53 1977/4885P2RY12 82/4885MAPT 1541/4885

“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.