SCHEMBL2117350

SCHEMBL2117350

CN(C)C(=O)c1ccc(-c2nc(O)cc(O)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.54
TP53 P04637 6/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 6/20 0.54
CYP2D6 P10635 6/20 0.54
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
HIF1A Q16665 1/20 0.54
CYP1A2 P05177 11/20 0.50
USP2 O75604 6/20 0.50
HSD17B10 Q99714 5/20 0.50
CLK4 Q9HAZ1 4/20 0.50
ERN1 O75460 4/20 0.50
CYP2C9 P11712 2/20 0.50
HDAC4 P56524 1/20 0.50
CYP2C19 P33261 9/20 0.48
LMNA P02545 6/20 0.48
TSHR P16473 4/20 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
SCHEMBL10626283 0.78 ALDH1A1 (0.64) CYP3A4TP53ALDH1A1HPGDCYP2D6
SCHEMBL2115440 0.77 CYP3A4 (0.52) CYP3A4TP53ALDH1A1HPGDCYP2D6
SCHEMBL7378255 0.76 MKNK1 (0.51) ERN1
SCHEMBL2120110 0.76 MAPT (0.50) CYP3A4TP53ALDH1A1HPGDCYP2D6
SCHEMBL1004649 0.76 ALDH1A1 (0.73) CYP3A4TP53ALDH1A1HPGDCYP2D6
SCHEMBL18924446 0.76 HDAC1 (0.53) CYP3A4TP53ALDH1A1HPGDCYP2D6
SCHEMBL26680622 0.75 HSD17B1 (0.59) CYP3A4ALDH1A1HPGDMEN1KMT2A
SCHEMBL2118292 0.72 MEN1 (0.47) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL487487 0.72 HPGD (0.61) CYP3A4ALDH1A1HPGDMEN1KMT2A
SCHEMBL22553905 0.71 CYP11B2 (0.51) CYP3A4TP53ALDH1A1HPGDKDM4E

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-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 EP 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-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST CYP3A4 1172/4885TP53 161/4885ALDH1A1 2454/4885

“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.