SCHEMBL183644

SCHEMBL183644

CCOC(=O)c1cnc(Cc2ccc(F)cc2)nc1-c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ATM Q13315 2/20 0.50
MAPK1 P28482 2/20 0.50
PTGS2 P35354 2/20 0.48
NPC1 O15118 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 4/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
FOS P01100 3/20 0.43
JUN P05412 3/20 0.43

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
SCHEMBL27742310 0.86 PTGS2 (0.52) MAPTSMN1; SMN2PTGS2HSD17B10KMT2A
SCHEMBL15899910 0.78 KMT2A (0.49) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL14874673 0.77 MAPK1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2ATM
SCHEMBL184019 0.76 PTGS2 (0.54) MAPTSMN1; SMN2PTGS2KMT2A
SCHEMBL10433933 0.76 ALDH1A1 (0.86) ALDH1A1MAPTLMNASMN1; SMN2ATM
SCHEMBL6149056 0.73 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2ATM
SCHEMBL28696308 0.72 TARBP2 (0.55) ALDH1A1MAPTLMNASMN1; SMN2ATM
SCHEMBL183439 0.72 PTGS2 (0.49) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4772518 0.71 RAB9A (0.65) ALDH1A1MAPTLMNASMN1; SMN2ATM
SCHEMBL5014336 0.71 FOS (0.60) ALDH1A1MAPTLMNASMN1; SMN2ATM

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 ALDH1A1 3160/4885MAPT 1462/4885LMNA 4305/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 ALDH1A1 3160/4885MAPT 1462/4885LMNA 4305/4885

“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.