SCHEMBL4776468

SCHEMBL4776468

Cc1nc2c(C(=O)O)cnn2c(C)c1Cc1ccc(F)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.69
KDM4E B2RXH2 8/20 0.64
ALDH1A1 P00352 7/20 0.64
HPGD P15428 6/20 0.64
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TP53 P04637 7/20 0.58
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
RUVBL1 Q9Y265 1/20 0.51

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
SCHEMBL4778302 0.90 HSD17B10 (0.73) HSD17B10KDM4EALDH1A1HPGDCYP1A2
SCHEMBL4935332 0.87 HSD17B10 (0.82) HSD17B10KDM4EALDH1A1HPGDCYP1A2
SCHEMBL4781460 0.85 HSD17B10 (0.66) HSD17B10KDM4EALDH1A1HPGDCYP1A2
SCHEMBL4792088 0.85 HSD17B10 (0.51) HSD17B10KDM4EALDH1A1HPGDCYP1A2
SCHEMBL4943540 0.85 KDM4E (0.72) HSD17B10KDM4EALDH1A1HPGDCYP1A2
SCHEMBL4725435 0.84 HSD17B10 (0.70) HSD17B10KDM4EALDH1A1HPGDCYP1A2
SCHEMBL4776282 0.84 TP53 (0.65) HSD17B10KDM4EALDH1A1HPGDCYP1A2
SCHEMBL4778418 0.84 TP53 (0.64) HSD17B10KDM4EALDH1A1HPGDCYP1A2
SCHEMBL4796135 0.83 HSD17B10 (0.62) HSD17B10KDM4EALDH1A1HPGDCYP1A2
SCHEMBL4941861 0.83 KDM4E (0.81) HSD17B10KDM4EALDH1A1HPGDTP53

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-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
WO-2008003753-A1 PYRAZOLO [1,5-A] PYRIMIDINE ANALOGS FOR USE AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) ACTIVITY BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO 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-20080221129-A1 New compounds SCD, SCD5, FASN HSD17B10 47/4885KDM4E 3813/4885ALDH1A1 858/4885

“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.