SCHEMBL4863530

SCHEMBL4863530

COc1ccc(NC(=N)c2cccnc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
KMT2A Q03164 5/20 0.59
POLB P06746 2/20 0.59
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL11195433 0.82 KMT2A (0.80) KDM4EKMT2APOLBRAB9ASMN1; SMN2
SCHEMBL14223876 0.81 NPC1 (0.56) KDM4EKMT2ARAB9ASMN1; SMN2CYP3A4
SCHEMBL455628 0.81 NAMPT (0.56) KMT2ARAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL28277481 0.81 RAB9A (0.65) KMT2ARAB9ASMN1; SMN2CYP3A4LMNA
SCHEMBL14223443 0.80 RAB9A (0.48) KDM4EKMT2ARAB9ASMN1; SMN2TDP1
SCHEMBL4856199 0.80 CYP11B1 (0.51) KDM4EKMT2APOLBRAB9ASMN1; SMN2
SCHEMBL4854662 0.79 KMT2A (0.52) KDM4EKMT2APOLBRAB9ASMN1; SMN2
SCHEMBL4854969 0.79 RAB9A (0.70) KMT2APOLBRAB9ASMN1; SMN2CYP3A4
SCHEMBL9596613 0.79 KMT2A (0.58) KDM4EKMT2ARAB9ASMN1; SMN2CRHBP
SCHEMBL9874228 0.79 NPC1 (0.61) KDM4EKMT2APOLBRAB9ASMN1; SMN2

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 KDM4E 4161/4885KMT2A 4298/4885POLB 705/4885

“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.