SCHEMBL184019

SCHEMBL184019

Cc1ccc(-c2nc(Cc3ccc(F)cc3)ncc2CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.54
HTR2C P28335 4/20 0.40
HTR2B P41595 4/20 0.40
HTR2A P28223 2/20 0.40
RET P07949 2/20 0.40
MAPT P10636 1/20 0.40
KDR P35968 1/20 0.40
KMT2A Q03164 1/20 0.39
AURKA O14965 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK8 P45983 1/20 0.39
CDK8 P49336 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
SCHEMBL183439 0.85 PTGS2 (0.49) PTGS2HTR2CHTR2BHTR2ARET
SCHEMBL27742310 0.80 PTGS2 (0.52) PTGS2HTR2CHTR2BHTR2ARET
SCHEMBL183644 0.76 ALDH1A1 (0.50) PTGS2MAPTKMT2ASMN1; SMN2
SCHEMBL14874525 0.71 RXFP1 (0.51) PTGS2MAPTNTRK1MAPK14TP53
SCHEMBL7216691 0.67 PTGS2 (0.69) PTGS2HTR2CHTR2BHTR2AMAPK14
SCHEMBL27928499 0.66 HTR2C (0.46) PTGS2HTR2CHTR2BSMN1; SMN2
SCHEMBL3689463 0.66 ACHE (0.68) RETMAPTKDRKMT2ATP53
SCHEMBL756391 0.66 HTR2C (0.41) PTGS2HTR2CHTR2BHTR2AKMT2A
SCHEMBL14874683 0.65 CYP1A2 (0.40) MAPK14AURKB
SCHEMBL13728239 0.65 HTR2C (0.48) HTR2CHTR2BMAPTKMT2ASMN1; SMN2

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 7 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 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 PTGS2 1969/4885HTR2C 11/4885HTR2B 10/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 PTGS2 1969/4885HTR2C 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.