SCHEMBL2340772

SCHEMBL2340772

Clc1ccc(-c2nc(N3CCOCC3)nc3c2CCNCC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.60
HTR2B P41595 6/20 0.60
HTR2A P28223 5/20 0.60
HTR7 P34969 2/20 0.51
HTR6 P50406 2/20 0.51
HTR3A P46098 1/20 0.51
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 1/20 0.45
PIK3CA P42336 4/20 0.45
MTOR P42345 2/20 0.45
PIK3CG P48736 1/20 0.45
HTR1D P28221 1/20 0.44
HTR1E P28566 1/20 0.44
HIF1A Q16665 2/20 0.43
KDM4E B2RXH2 1/20 0.43
S1PR2 O95136 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 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
SCHEMBL2339520 0.89 HTR2C (0.61) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL2343409 0.88 HTR2C (0.57) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL2341505 0.86 HTR2C (0.44) HTR2CHTR2BHTR2AKMT2AMEN1
SCHEMBL2342805 0.83 HTR2A (0.55) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL2339465 0.80 HTR2C (0.57) HTR2CHTR2BHTR2A
SCHEMBL2342243 0.80 HTR2C (0.55) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL2341116 0.77 HTR2A (0.58) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL2337646 0.77 PIK3CA (0.47) HTR2CHTR2BPIK3CAPIK3R1
SCHEMBL2339714 0.77 HTR2C (0.58) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL2338980 0.76 HTR2C (0.58) HTR2CHTR2BHTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US claimed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
WO-2010053825-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-14 WO 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 (1 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 HTR2C 6/4885HTR2B 8/4885HTR2A 1/4885

“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.