SCHEMBL183674

SCHEMBL183674

CC(C)c1nc(O)c2c(n1)CN(Cc1ccccc1)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
DPP4 P27487 1/20 0.40
C5AR1 P21730 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
SIGMAR1 Q99720 2/20 0.37
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MC4R P32245 1/20 0.36
CLPP Q16740 1/20 0.35

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
SCHEMBL28776207 0.84 HTR2A (0.39) CYP2C19CYP3A4DPP4C5AR1KMT2A
SCHEMBL20042893 0.82 CYP2C19 (0.45) CYP2C19CYP3A4DPP4C5AR1KMT2A
SCHEMBL2734842 0.82 HTR2A (0.52) CLPP
SCHEMBL183374 0.76 PARP1 (0.46) CYP2C19CYP3A4C5AR1KMT2AMEN1
SCHEMBL183735 0.74 HTR2A (0.55) PARP1TNKS2PARP2CLPP
SCHEMBL13329574 0.71 KMT2A (0.56) C5AR1KMT2AMEN1CYP1A2KDM4E
SCHEMBL20042770 0.71 CYP2C19 (0.49) CYP2C19CYP3A4DPP4C5AR1KMT2A
SCHEMBL18233741 0.70 KMT2A (0.59) C5AR1KMT2AMEN1KDM4ECLPP
SCHEMBL19616715 0.70 KMT2A (0.50) C5AR1KMT2AMEN1PARP1TNKS2
SCHEMBL300982 0.70 PARP1 (0.41) C5AR1KMT2AMEN1PARP1TNKS2

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 5 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
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 CYP2C19 312/4885CYP3A4 1064/4885DPP4 1901/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 CYP2C19 312/4885CYP3A4 1064/4885DPP4 1901/4885

“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.