SCHEMBL452273

SCHEMBL452273

Cc1ccc(-c2cc(C(=O)O)cc3[nH]nnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.46
MAPK1 P28482 1/20 0.44
MAP2K4 P45985 1/20 0.44
MAPKAPK3 Q16644 1/20 0.44
MAPK6 Q16659 1/20 0.44
CTRC Q99895 1/20 0.44
MAP4K4 O95819 1/20 0.43
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39

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
SCHEMBL13188348 0.89 CHEK2 (0.46) ALPLMAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL2249700 0.72 KDR (0.39) MAPK1MAP4K4AURKASMN1; SMN2KDM4E
SCHEMBL3443090 0.72 CA12 (0.47) MAPK1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL29123498 0.71 GRIK1 (0.43) MAPK1MAP2K4MAPKAPK3MAPK6ALDH1A1
SCHEMBL7823500 0.70 ALDH1A1 (0.65) ALPLCTRCMAP4K4ALDH1A1SMN1; SMN2
SCHEMBL19627078 0.69 ALDH1A1 (0.71) MAPK1MAP2K4MAPKAPK3MAPK6MAP4K4
SCHEMBL2744390 0.68 GRIK1 (0.59) MAP4K4ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL3654429 0.68 DHODH (0.50) ALPLMAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL27552403 0.68 TPMT (0.43) MAPK1MAP2K4MAPKAPK3MAPK6ALDH1A1
SCHEMBL11290350 0.67 ALDH1A1 (0.55) MAP4K4ALDH1A1SMN1; SMN2KDM4EHPGD

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-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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 (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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 ALPL 3432/4885MAPK1 2759/4885MAP2K4 3006/4885

“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.