SCHEMBL3879931

SCHEMBL3879931

CC(C)c1cc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc(N3CCOCC3)n2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 5/20 0.46
PIK3CA P42336 4/20 0.46
PIK3CD O00329 1/20 0.46
PIK3C2B O00750 1/20 0.46
AKR1C3 P42330 1/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
PIK3R5 Q8WYR1 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
GALR2 O43603 4/20 0.45
GALR1 P47211 4/20 0.45
TRPV1 Q8NER1 6/20 0.44
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
MAP3K12 Q12852 1/20 0.42

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
SCHEMBL3883478 0.89 GALR2 (0.49) PIK3R1PIK3CAPIK3CDPIK3C2BAKR1C3
SCHEMBL3881394 0.88 PIK3CA (0.50) PIK3R1PIK3CAPIK3CDPIK3C2BAKR1C3
SCHEMBL3880529 0.87 TRPV1 (0.49) PIK3R1PIK3CAPIK3CDPIK3C2BAKR1C3
SCHEMBL3889288 0.86 MTOR (0.54) PIK3R1PIK3CAPIK3CDPIK3C2BAKR1C3
SCHEMBL3879829 0.86 GALR2 (0.51) PIK3R1PIK3CAPIK3CDPIK3C2BAKR1C3
SCHEMBL3879813 0.86 HSD11B1 (0.50) PIK3R1PIK3CAPIK3CDPIK3C2BAKR1C3
SCHEMBL3877892 0.85 NPSR1 (0.58) PIK3R1PIK3CAPIK3CDPIK3C2BAKR1C3
SCHEMBL3881496 0.85 NPSR1 (0.58) PIK3R1PIK3CAPIK3CDPIK3C2BAKR1C3
SCHEMBL3947315 0.85 GALR2 (0.53) PIK3R1PIK3CAPIK3CDPIK3C2BAKR1C3
SCHEMBL3885550 0.85 GALR2 (0.53) PIK3R1PIK3CAPIK3CDPIK3C2BAKR1C3

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
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 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-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG PIK3R1 1228/4885PIK3CA 1107/4885PIK3CD 1504/4885

“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.