SCHEMBL15029348

SCHEMBL15029348

Cc1ccc2nc(C(F)F)n(-c3cc(N4CCOCC4)nc(NCC4CCN(C5CCOCC5)CC4)n3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.46
PIK3CD O00329 10/20 0.42
PIK3CA P42336 9/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CG P48736 7/20 0.41
HTR4 Q13639 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.37

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
SCHEMBL15029921 0.94 PIK3CB (0.47) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL16308170 0.90 PDCD1 (0.42) PIK3CBPIK3CDPIK3CAPIK3R1HTR4
SCHEMBL15029408 0.90 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15029899 0.89 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15029623 0.89 PIK3CB (0.45) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15029963 0.88 PIK3CB (0.48) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15029342 0.88 PIK3CB (0.48) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15029355 0.87 PIK3CB (0.47) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15029933 0.87 PIK3CB (0.45) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL16308121 0.85 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604601-B1 HETERO RING COMPOUND ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 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-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS PIK3CB 16/4885PIK3CD 6/4885PIK3CA 28/4885

“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.