SCHEMBL4671928

SCHEMBL4671928

Cc1csc(-n2nc(C(F)(F)F)nc2-c2cn(C)c3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDK1 Q15118 1/20 0.35
CCNE2 O96020 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4676537 0.78 KDM4E (0.39) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL4671916 0.75 PTGS2 (0.47) PTGS2KDM4ENPC1ALDH1A1HPGD
SCHEMBL4671634 0.73 PTGS2 (0.69) PTGS2
SCHEMBL4673772 0.72 RAB9A (0.37) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL4731833 0.71 ESR1 (0.38) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL5336400 0.71 MAPT (0.40) PTGS2KDM4ENPC1ALDH1A1HPGD
SCHEMBL22164585 0.62 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1801387 0.62 CDK1 (0.49) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL28271167 0.61 IMPDH2 (0.53) PTGS2KDM4ENPC1ALDH1A1HPGD
SCHEMBL28586959 0.60 CCNE2 (0.40) PTGS2KDM4ENPC1ALDH1A1HPGD

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
EP-1565456-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2008-10-01 EP disclosed
US-7230010-B2 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2007-06-12 US disclosed
US-20040106612-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2004-06-03 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-20040106612-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same NAT1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1B1 PTGS2 3173/4885KDM4E 3268/4885NPC1 292/4885

“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.