SCHEMBL4863537

SCHEMBL4863537

COc1ccc(N=C(N)c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
NOS3 P29474 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
QRFPR Q96P65 1/20 0.51
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL455629 0.81 KMT2A (0.66) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL4856204 0.80 KMT2A (0.48) KMT2ANOS3HTR3EHTR3BHTR3A
SCHEMBL4854979 0.79 PLAU (0.51) KMT2ANOS3HTR3EHTR3BHTR3A
SCHEMBL9596608 0.79 GRIN2B (0.55) KMT2ARAB9AKDM4ETHRBGAA
SCHEMBL9596605 0.79 GRIN2B (0.55) KMT2ARAB9AKDM4ETHRBGAA
SCHEMBL5423613 0.79 NOS3 (0.68) KMT2ANOS3HTR3EHTR3BHTR3A
SCHEMBL6338188 0.78 RAB9A (0.71) KMT2ARAB9AKDM4EALDH1A1MAPT
SCHEMBL5594822 0.77 MEN1 (0.50) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL4855919 0.77 QRFPR (0.48) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL11769995 0.74 CYP2D6 (0.66) KMT2ANOS3HTR3EHTR3BHTR3A

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-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP KMT2A 4298/4885NOS3 3830/4885HTR3E 2015/4885

“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.