SCHEMBL4863240

SCHEMBL4863240

CCc1ccc(-n2c(-c3cccnc3)nc(SC)c(C#N)c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
HIF1A Q16665 2/20 0.44
MAPK1 P28482 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
G6PD P11413 1/20 0.42
HPGD P15428 3/20 0.41
PTGS2 P35354 1/20 0.41
AKT1 P31749 1/20 0.40
KDM4E B2RXH2 2/20 0.40
DYRK1A Q13627 1/20 0.40
LMNA P02545 1/20 0.40
CLK1 P49759 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM5A P29375 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4860033 0.89 G6PD (0.44) MAPTMAPK1ALDH1A1TSHRHSD17B10
SCHEMBL4857002 0.88 SQOR (0.45) MAPTMAPK1ALDH1A1TSHRG6PD
SCHEMBL2947465 0.86 G6PD (0.59) MAPTHIF1AMAPK1ALDH1A1G6PD
SCHEMBL2953222 0.86 MAPT (0.50) MAPTMAPK1ALDH1A1TSHRG6PD
SCHEMBL14223710 0.86 MAPT (0.52) MAPTHIF1AMAPK1ALDH1A1TSHR
SCHEMBL4855786 0.83 KDM4E (0.40) MAPTALDH1A1TSHRHSD17B10HPGD
SCHEMBL4859654 0.81 ATM (0.43) MAPTALDH1A1TSHRHPGDKDM4E
SCHEMBL14223433 0.79 MAPK1 (0.42) MAPTMAPK1ALDH1A1TSHRHSD17B10
SCHEMBL4854652 0.77 LMNA (0.47) MAPTALDH1A1HSD17B10HPGDKDM4E
SCHEMBL4854600 0.77 ALDH1A1 (0.55) MAPTALDH1A1HPGDKDM4ELMNA

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 MAPT 28/4885HIF1A 4398/4885MAPK1 3099/4885

“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.