SCHEMBL4486953

SCHEMBL4486953

CS(=O)(=O)c1ccc(Cl)cc1CN

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.48
CCR2 P41597 9/20 0.45
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
TRPV4 Q9HBA0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ADRA2C P18825 1/20 0.39
CYP2A6 P11509 1/20 0.39
DDR1 Q08345 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Hydrochloric Acid SCHEMBL1262739 0.98 ADRA1D (0.47) ADRA1DCCR2ADRA1AADRA1BTRPV4
SCHEMBL3922915 0.85 CCR2 (0.41) ADRA1DCCR2ADRA1AADRA1BL3MBTL1
SCHEMBL30122009 0.85 CCR2 (0.41) ADRA1DCCR2ADRA1AADRA1BL3MBTL1
SCHEMBL12997839 0.84 DDR1 (0.54) DDR1
SCHEMBL28323467 0.83 CCR2 (0.46) ADRA1DCCR2ADRA1AADRA1BTRPV4
Hydrochloric Acid SCHEMBL1262779 0.82 DDR1 (0.52) DDR1
SCHEMBL1039443 0.81 ADRA1D (0.48) ADRA1DCCR2ADRA1AADRA1BTRPV4
SCHEMBL1016174 0.81 CCR2 (0.45) ADRA1DCCR2ADRA1AADRA1BTRPV4
SCHEMBL1804210 0.81 CYP2A6 (0.39) ADRA1DCCR2TRPV4CYP2A6DDR1
Hydrochloric Acid SCHEMBL1016268 0.81 CA1 (0.41) TRPV4CYP2A6MEN1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010137620-A1 PHENOXYETHYLAMINE DERIVATIVE 武田薬品工業株式会社 (JP) 2010-12-02 WO disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH ADRA1D 1125/4885CCR2 1277/4885ADRA1A 1149/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH ADRA1D 1125/4885CCR2 1277/4885ADRA1A 1149/4885

“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.