SCHEMBL415697

SCHEMBL415697

c1ccc(Cc2ccnc(Cc3ccccc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR3A P46098 1/20 0.44
HTR6 P50406 1/20 0.44
CALM1 P0DP23 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
BRD4 O60885 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL16815245 0.87 SORD (0.42) CHRM4CHRM5CHRM1CHRM3HTR2A
SCHEMBL2316464 0.87 LOXL2 (0.42) CHRM4CHRM5CHRM1CHRM3HTR2A
SCHEMBL19630564 0.84 SMN1; SMN2 (0.44) L3MBTL1MEN1KMT2AALDH1A1BRD4
SCHEMBL11629563 0.83 MEN1 (0.42) CHRM4CHRM5CHRM1CHRM3HTR2A
SCHEMBL23931342 0.81 HTR2C (0.47) HTR2CL3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL11632336 0.80 ALDH1A1 (0.39) L3MBTL1MEN1KMT2AALDH1A1BRD4
SCHEMBL9391551 0.78 ALDH1A1 (0.43) CHRM4CHRM5CHRM1CHRM3HTR2A
SCHEMBL265376 0.78 ALDH1A1 (0.47) CALM1L3MBTL1ALDH1A1BRD4TAAR1
SCHEMBL2245915 0.78 BRD4 (0.42) CALM1L3MBTL1ALDH1A1BRD4TAAR1
SCHEMBL19591020 0.78 GRM4 (0.43) CALM1L3MBTL1ALDH1A1BRD4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
CN-101468965-A Biaryl substituted 6-membered heterocyles as sodium channel blockers MERCK & CO INC (US) 2009-07-01 CN disclosed
CN-1791580-A Biaryl substituted 6-membered heterocyclic sodium channel blockers MERCK & CO INC (US) 2006-06-21 CN 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 CHRM4 297/4885CHRM5 286/4885CHRM1 193/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CHRM4 316/4885CHRM5 290/4885CHRM1 197/4885

“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.