SCHEMBL183483

SCHEMBL183483

CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)c2c(n1)C(C)CNC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.41
HTR2A P28223 9/20 0.41
HTR2B P41595 9/20 0.41
KDM5B Q9UGL1 1/20 0.35
KDM5A P29375 1/20 0.34
BRD4 O60885 3/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31

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 SCHEMBL183655 0.86 HTR2A (0.54) HTR2CHTR2AHTR2BHRH2HRH3
SCHEMBL300673 0.85 HTR2A (0.41) HTR2CHTR2AHTR2BHRH2HRH3
Hydrochloric Acid SCHEMBL183558 0.84 HTR2A (0.41) HTR2CHTR2AHTR2BHRH2HRH3
SCHEMBL183396 0.84 HRH2 (0.40) HTR2CHTR2AHTR2BHRH2HRH3
SCHEMBL13674226 0.84 HTR2A (0.41) HTR2CHTR2AHTR2BHRH2HRH3
SCHEMBL300986 0.79 HTR2A (0.39) HTR2CHTR2AHTR2BBRD4SLC6A2
SCHEMBL183902 0.78 HTR2A (0.34) HTR2CHTR2AHTR2BKDM5BKDM1A
SCHEMBL183617 0.73 HTR2A (0.40) HTR2CHTR2AHTR2B
SCHEMBL28827805 0.66 KIF11 (0.45)
SCHEMBL300726 0.64 HTR2A (0.69) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928461-B1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-04 EP claimed
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-01-21 US claimed
EP-1928461-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-11 EP claimed
WO-2007019083-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 WO claimed
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 US claimed
US-8618288-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-12-31 US disclosed
EP-1928461-B1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-04 EP disclosed
EP-1928461-B1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-04 EP disclosed
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-01-21 US disclosed
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-01-21 US disclosed
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-01-21 US disclosed
US-7598255-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-10-06 US disclosed
US-7598255-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-10-06 US disclosed
EP-1928461-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-11 EP disclosed
WO-2007019083-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 WO disclosed
WO-2007019083-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 WO disclosed
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 US disclosed
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 US disclosed
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 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-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 HTR2C 11/4885HTR2A 4/4885HTR2B 10/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 HTR2C 11/4885HTR2A 4/4885HTR2B 10/4885

“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.