SCHEMBL183379

SCHEMBL183379

CC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CN(C1=CC=C1)CC2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.56
HTR2C P28335 8/20 0.56
HTR2B P41595 8/20 0.56
TRPV1 Q8NER1 4/20 0.37
MAPK1 P28482 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HTR7 P34969 1/20 0.32
KCNK3 O14649 2/20 0.32

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
SCHEMBL183450 0.81 HTR2A (0.63) HTR2AHTR2CHTR2B
SCHEMBL183776 0.80 HTR2A (0.62) HTR2AHTR2CHTR2BTRPV1PTGS1
SCHEMBL183589 0.78 HTR2A (0.59) HTR2AHTR2CHTR2B
SCHEMBL183459 0.77 HTR2A (0.58) HTR2AHTR2CHTR2BTRPV1PTGS1
SCHEMBL183240 0.76 HTR2A (0.57) HTR2AHTR2CHTR2BMAPK1KCNK3
SCHEMBL183442 0.76 HTR2A (0.56) HTR2AHTR2CHTR2B
SCHEMBL183378 0.76 HTR2A (0.56) HTR2AHTR2CHTR2BKCNK3
SCHEMBL183625 0.76 HTR2A (0.56) HTR2AHTR2CHTR2BKCNK3
SCHEMBL183610 0.74 HTR2A (0.75) HTR2AHTR2CHTR2BPTGS1PTGS2
SCHEMBL300942 0.74 HTR2A (0.63) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618288-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-12-31 US claimed
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
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
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
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 HTR2A 4/4885HTR2C 11/4885HTR2B 10/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 HTR2A 4/4885HTR2C 11/4885HTR2B 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.