SCHEMBL17853199

SCHEMBL17853199

Cn1ncc(C(=O)N=[N+]=[N-])c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
LPAR1 Q92633 1/20 0.32
VNN1 O95497 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31
NR3C1 P04150 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SLC9A1 P19634 1/20 0.30
SLC9A2 Q9UBY0 1/20 0.30
ROCK1 Q13464 1/20 0.30
NR4A3 Q92570 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL17853170 0.82 KDM4C (0.42) LPAR1VNN1KDM4CALDH1A1NR3C1
SCHEMBL4204205 0.80 ALDH1A1 (0.41) LPAR1VNN1KDM4CALDH1A1KMT2A
SCHEMBL19730080 0.78 GABRA1 (0.33) GABRA1KMT2A
SCHEMBL27661737 0.78 VNN1 (0.34) LPAR1VNN1KDM4CALDH1A1KMT2A
SCHEMBL17853169 0.75 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4E
SCHEMBL6065942 0.74 VNN1 (0.34) LPAR1VNN1KDM4CALDH1A1NR3C1
SCHEMBL3119092 0.72 LPAR1 (0.38) LPAR1VNN1KDM4CALDH1A1KMT2A
SCHEMBL4206941 0.71 HTT (0.41) ALDH1A1KMT2ANR3C1KDM4E
SCHEMBL6065837 0.71 LPAR1 (0.37) LPAR1VNN1KDM4CALDH1A1KMT2A
SCHEMBL6425412 0.71 ALDH1A1 (0.37) LPAR1VNN1ALDH1A1KMT2AKDM4E

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 5 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-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 GABRA1 1252/4885LPAR1 4862/4885VNN1 2196/4885
US-10035774-B2 Pyrazolyl carboxylic acid and pyrazolyl urea derivative compounds UROD, PEPD, CMPK1 GABRA1 1252/4885LPAR1 4862/4885VNN1 2196/4885

“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.