SCHEMBL4854645

SCHEMBL4854645

COc1ccc(-n2c(-c3ccccn3)nc(SC)c(C#N)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KCNK3 O14649 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.39
G6PD P11413 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4858598 0.89 KDM4E (0.46) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL4861680 0.89 KDM4E (0.45) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL4854704 0.88 KDM4E (0.46) MEN1KMT2AALDH1A1KDM4ERXFP1
SCHEMBL4859654 0.86 ATM (0.43) MEN1KMT2AALDH1A1KDM4ERXFP1
SCHEMBL4863176 0.85 HTT (0.45) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL14223451 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL2947465 0.81 G6PD (0.59) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL4862257 0.80 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL14223434 0.77 PTPN1 (0.38) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL4856185 0.74 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4ENPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US claimed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US claimed
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 MEN1 917/4885KMT2A 4298/4885ALDH1A1 272/4885

“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.