SCHEMBL16023928

SCHEMBL16023928

O=C(c1ccc(Br)cc1)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
SRD5A2 P31213 1/20 0.45
MAPK1 P28482 1/20 0.44
LTC4S Q16873 2/20 0.44
PTGS1 P23219 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HSD17B14 Q9BPX1 1/20 0.41
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
GSK3B P49841 2/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40

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
SCHEMBL27680503 0.83 KMT2A (0.72) KMT2ASRD5A2MAPK1PTGS1LMNA
SCHEMBL2685467 0.79 SRD5A2 (0.68) KMT2ASRD5A2MAPK1LMNACES2
SCHEMBL2138521 0.79 DEGS1 (0.60) KMT2ASRD5A2LTC4SCES2CES1
SCHEMBL17184836 0.76 PTGS1 (0.74) KMT2APTGS1KDM4EPRKAB2PRKAG1
SCHEMBL17427866 0.76 RAB9A (0.49) KMT2ASRD5A2MAPK1LTC4SLMNA
SCHEMBL27477768 0.76 KDM4E (0.50) SRD5A2LMNAKDM4EALDH1A1CES2
SCHEMBL27296576 0.76 KDM4E (0.55) KMT2ALTC4SLMNAKDM4EALDH1A1
SCHEMBL16023926 0.74 LIPE (0.47) KMT2ALTC4SPTGS1
SCHEMBL31532327 0.74 KMT2A (0.70) KMT2ASRD5A2MAPK1KDM4EALDH1A1
SCHEMBL211804 0.74 KMT2A (0.70) KMT2ASRD5A2MAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2019-02-05 US disclosed
EP-2964639-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2018-05-02 EP disclosed
EP-3293184-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS Purdue Pharma L.P. (US) 2018-03-14 EP disclosed
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 US disclosed
US-9637458-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. 2017-05-02 US disclosed
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2016-01-14 US disclosed
WO-2014135955-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-12 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 (3 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-10196364-B2 Pyrimidine carboxamides as sodium channel blockers CACNA1A, TRPV1, TRPA1 KMT2A 2205/4885SRD5A2 2385/4885MAPK1 3702/4885
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 KMT2A 2205/4885SRD5A2 2385/4885MAPK1 3702/4885
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 KMT2A 2117/4885SRD5A2 2453/4885MAPK1 3612/4885

“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.