SCHEMBL4862273

SCHEMBL4862273

CSc1nc(-c2ccccc2)n(-c2ccc(C)c(C)c2)c(=O)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
KMT2A Q03164 3/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KDM4E B2RXH2 6/20 0.47
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 5/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
USP2 O75604 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 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
SCHEMBL2949905 0.90 KDM4E (0.41) ALDH1A1KMT2ACA1CA2KDM4E
SCHEMBL4854600 0.88 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4ELMNAL3MBTL1
SCHEMBL2953222 0.88 MAPT (0.50) ALDH1A1KMT2ACA1CA2KDM4E
SCHEMBL4854567 0.87 KDM4E (0.48) ALDH1A1KMT2AKDM4EPOLBLMNA
SCHEMBL4864177 0.86 KDM4E (0.49) ALDH1A1KMT2AKDM4ELMNAL3MBTL1
SCHEMBL4861826 0.86 HSD17B10 (0.41) ALDH1A1KMT2AKDM4EPOLBLMNA
SCHEMBL4855004 0.86 PTGS2 (0.41) ALDH1A1KMT2AKDM4EL3MBTL1RXFP1
SCHEMBL14223888 0.85 CA1 (0.48) ALDH1A1KMT2ACA1CA2KDM4E
SCHEMBL4863176 0.84 HTT (0.45) ALDH1A1KMT2ACA1CA2KDM4E
SCHEMBL4862336 0.83 PTPN1 (0.42) ALDH1A1KMT2AKDM4EPOLBLMNA

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-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 ALDH1A1 272/4885KMT2A 4298/4885CA1 4652/4885

“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.