SCHEMBL17853170

SCHEMBL17853170

Cn1ncc(C(=O)O)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.42
NR4A3 Q92570 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
VNN1 O95497 1/20 0.37
LPAR1 Q92633 1/20 0.36
PDE10A Q9Y233 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NR3C1 P04150 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
GAA P10253 1/20 0.34
ROCK1 Q13464 1/20 0.34
KCNN4 O15554 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
SCHEMBL4204205 0.89 ALDH1A1 (0.41) KDM4CNR4A3KDM4EALDH1A1POLB
SCHEMBL27661737 0.86 VNN1 (0.34) KDM4CNR4A3KDM4EALDH1A1KDM5A
SCHEMBL17853169 0.83 ALDH1A1 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL17853199 0.82 GABRA1 (0.37) KDM4CNR4A3KDM4EALDH1A1VNN1
SCHEMBL6065942 0.82 VNN1 (0.34) KDM4CNR4A3KDM4EALDH1A1VNN1
SCHEMBL3119092 0.80 LPAR1 (0.38) KDM4CKDM4EALDH1A1SMN1; SMN2VNN1
SCHEMBL4206941 0.79 HTT (0.41) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL6065837 0.79 LPAR1 (0.37) KDM4CKDM4EALDH1A1POLBMAPT
SCHEMBL6425412 0.79 ALDH1A1 (0.37) KDM4EALDH1A1POLBSMN1; SMN2VNN1
SCHEMBL6065834 0.78 LPAR1 (0.36) KDM4CVNN1LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035774-B2 Pyrazolyl carboxylic acid and pyrazolyl urea derivative compounds MERCK SHARP & DOHME CORP. (US) 2018-07-31 US disclosed
US-10035774-B2 Pyrazolyl carboxylic acid and pyrazolyl urea derivative compounds MERCK SHARP & DOHME CORP. (US) 2018-07-31 US disclosed
US-10035774-B2 Pyrazolyl carboxylic acid and pyrazolyl urea derivative compounds MERCK SHARP & DOHME CORP. (US) 2018-07-31 US disclosed
US-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
WO-2016095860-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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 (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-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS UROD, PEPD, CMPK1 KDM4C 2280/4885NR4A3 3419/4885KDM4E 1988/4885
US-10035774-B2 Pyrazolyl carboxylic acid and pyrazolyl urea derivative compounds UROD, PEPD, CMPK1 KDM4C 2280/4885NR4A3 3419/4885KDM4E 1988/4885

“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.