SCHEMBL2337646

SCHEMBL2337646

c1ccc2ncc(-c3nc(N4CCOCC4)nc4c3CCNCC4)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.47
HTR2C P28335 2/20 0.45
PIK3R1 P27986 3/20 0.44
HTR2B P41595 1/20 0.43
ATR Q13535 2/20 0.42
ATRIP Q8WXE1 2/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41

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
SCHEMBL2346074 0.87 WHR1 (0.40) PIK3CAHTR2CPIK3R1HTR2BPIK3CD
SCHEMBL2339737 0.86 PIK3R1 (0.50) PIK3CAPIK3R1ATRATRIP
SCHEMBL2340223 0.86 PIK3R1 (0.50) PIK3CAPIK3R1ATRATRIP
SCHEMBL30718230 0.85 CHRNB2 (0.50) HTR2C
SCHEMBL27062886 0.85 CHRNB2 (0.50) HTR2C
SCHEMBL2334226 0.79 PARP10 (0.39) PIK3CAHTR2CHTR2BPIK3CDPIK3CB
SCHEMBL2340772 0.77 HTR2C (0.60) PIK3CAHTR2CPIK3R1HTR2B
SCHEMBL27029526 0.76 PIK3CA (0.57) PIK3CAATRATRIPPIK3CB
SCHEMBL30718243 0.76 PIK3CA (0.57) PIK3CAATRATRIPPIK3CB
SCHEMBL29931566 0.74 ALDH1A1 (0.72)

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
WO-2010053825-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-14 WO 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

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 PIK3CA 2071/4885HTR2C 6/4885PIK3R1 1930/4885

“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.