SCHEMBL193241

SCHEMBL193241

c1ccc(C2NCNc3ccncc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
PRCP P42785 1/20 0.38
GAA P10253 2/20 0.37
CHRNA7 P36544 4/20 0.36
CYP2A6 P11509 2/20 0.35
MEN1 O00255 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
GID4 Q8IVV7 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL18977551 0.80 PRCP (0.47) RECQLPRCPGAAMEN1CYP2D6
SCHEMBL14660294 0.74 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL18977121 0.71 PRCP (0.39) RECQLPRCPGAAMEN1KMT2A
SCHEMBL4765346 0.69 JAK2 (0.39) RECQLPRCPGAAMEN1KMT2A
SCHEMBL9039453 0.67 MAPT (0.33) RECQLCHRNB2CHRNA4GAAMEN1
Hydrochloric Acid SCHEMBL9650159 0.66 MAPT (0.33) CHRNB2CHRNA4GAAMAPTMAPK1
SCHEMBL20304287 0.65 DDB1 (0.40) PRCPGAAMEN1KMT2AMAPT
SCHEMBL5598091 0.65 PRCP (0.55) RECQLPRCPGAAMEN1KMT2A
SCHEMBL2260588 0.65 MAPT (0.38) RECQLCHRNB2CHRNA4GAAMEN1
SCHEMBL12361559 0.65 MAPT (0.38) RECQLCHRNB2CHRNA4GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
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-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 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
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
US-5137890-A Gastrointestinal disorders, antiulcer agents ORTHO PHARMACEUTICAL CORPORATION (US) 1992-08-11 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 (3 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-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR2A, HTR6, HTR5A RECQL 1579/4885CHRNB2 552/4885CHRNA4 587/4885
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 RECQL 772/4885CHRNB2 649/4885CHRNA4 523/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 RECQL 772/4885CHRNB2 649/4885CHRNA4 523/4885

“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.