SCHEMBL17311397

SCHEMBL17311397

NC(=S)Nc1cccc(C(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 3/20 0.52
TP53 P04637 2/20 0.52
TYR P14679 1/20 0.52
TSHR P16473 1/20 0.52
TAS2R38 P59533 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MEN1 O00255 2/20 0.44
TOP2A P11388 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL1883462 0.86 CYP1A2 (0.61) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL4524236 0.84 KMT2A (0.63) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL3430494 0.82 MEN1 (0.51) KMT2AALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL4047674 0.80 KMT2A (0.76) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL15652254 0.76 MEN1 (0.53) KMT2AALDH1A1HSD17B10MEN1TOP2A
SCHEMBL29838519 0.76 IDO1 (0.68) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL147446 0.76 IDO1 (0.68) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL4704985 0.75 LMNA (0.48) KMT2ACYP1A2ALDH1A1GRIN2DGRIN3B
SCHEMBL5141326 0.75 MEN1 (0.51) KMT2ACYP1A2ALDH1A1MEN1KDM4E
SCHEMBL5141327 0.75 MEN1 (0.51) KMT2ACYP1A2ALDH1A1MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154980-B1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES CHIESI FARM SPA (IT) 2021-08-04 EP disclosed
EP-3154980-B1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES CHIESI FARM SPA (IT) 2021-08-04 EP disclosed
EP-3154980-A1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES Chiesi Farmaceutici S.p.A. (IT) 2017-04-19 EP disclosed
CN-106459065-A Tetrahydrotriazolopyrimidine derivatives, pharmaceutical compositions containing the same and uses 奇斯药制品公司 2017-02-22 CN disclosed
US-9487528-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2016-11-08 US disclosed
US-9487528-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2016-11-08 US disclosed
US-9487528-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2016-11-08 US disclosed
WO-2015189362-A1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-17 WO disclosed
WO-2015189362-A1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-17 WO disclosed
US-20150353561-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 US disclosed
US-20150353561-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 US disclosed
US-20150353561-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-10 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-20150353561-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO KMT2A 4016/4885CYP1A2 1669/4885ALDH1A1 85/4885

“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.