SCHEMBL21034342

SCHEMBL21034342

COC(=O)c1ccc2c(n1)NNC2(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.37
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL28728372 0.70 MAPK14 (0.40) MAPK1MAPTCYP1A2GAARECQL
SCHEMBL29879054 0.69 CRBN (0.40) MAPK1MAPTSMN1; SMN2CYP1A2GAA
SCHEMBL15147860 0.69 CRBN (0.40) MAPK1MAPTSMN1; SMN2CYP1A2GAA
SCHEMBL5310756 0.68 CRBN (0.44) MAPK1HSD17B10
SCHEMBL24664694 0.66 MAPT (0.40) MAPK1MAPTSMN1; SMN2CYP1A2GAA
SCHEMBL4995737 0.64 MAPK1 (0.50) MAPK1MAPTSMN1; SMN2CYP1A2GAA
SCHEMBL23362438 0.64 MAPT (0.46) MAPK1MAPTSMN1; SMN2CYP1A2GAA
SCHEMBL69653 0.64 MAPT (0.64) MAPTSMN1; SMN2CYP1A2GAARECQL
SCHEMBL1456298 0.63 MAPK1 (0.57) MAPK1MAPTTP53KDM4EALDH1A1
SCHEMBL29442775 0.63 MAPK1 (0.57) MAPK1MAPTTP53KDM4EALDH1A1

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-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2020-07-28 — — US disclosed
US-20190160048-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2019-05-30 — — 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 (2 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-20190160048-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF THPO, PTGIS, PYCR1 MAPK1 1613/4885MAPT 3722/4885SMN1; SMN2 3406/4885
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof PTGIS, CYP11B2, IL1B MAPK1 1311/4885MAPT 3881/4885SMN1; SMN2 3643/4885

“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.

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