SCHEMBL2339737

SCHEMBL2339737

C[C@H]1COCCN1c1nc2c(c(-c3cnc4ccccc4c3)n1)CCNCC2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 17/20 0.50
PIK3CA P42336 17/20 0.50
ATR Q13535 1/20 0.46
ATRIP Q8WXE1 1/20 0.46
MTOR P42345 2/20 0.44

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
SCHEMBL2340223 1.00 PIK3R1 (0.50) PIK3R1PIK3CAATRATRIPMTOR
SCHEMBL7917278 0.87 PIK3R1 (0.47) PIK3R1PIK3CAMTOR
SCHEMBL7917057 0.87 PIK3R1 (0.47) PIK3R1PIK3CAMTOR
SCHEMBL2337646 0.86 PIK3CA (0.47) PIK3R1PIK3CAATRATRIP
SCHEMBL2334226 0.81 PARP10 (0.39) PIK3CAMTOR
SCHEMBL2340827 0.81 HTR2A (0.51) PIK3R1PIK3CAMTOR
SCHEMBL2335257 0.81 HTR2A (0.51) PIK3R1PIK3CAMTOR
SCHEMBL2342805 0.80 HTR2A (0.55) PIK3R1PIK3CAMTOR
SCHEMBL2341540 0.80 PIK3R1 (0.42) PIK3R1PIK3CAMTOR
SCHEMBL2344819 0.79 PIK3R1 (0.46) PIK3R1PIK3CAMTOR

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 7 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

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 PIK3R1 1930/4885PIK3CA 2071/4885ATR 2315/4885

“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.