SCHEMBL3877751

SCHEMBL3877751

Fc1ccc(-c2cc(N3CCN(c4ncccc4Cl)CC3)nc(N3CCOCC3)n2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.50
MAP3K12 Q12852 1/20 0.47
MTOR P42345 8/20 0.46
MALT1 Q9UDY8 1/20 0.42
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3887144 0.94 PIK3CA (0.50) PIK3CAMAP3K12MTORMAPTTSHR
SCHEMBL3877301 0.92 PIK3CA (0.48) PIK3CAMAP3K12MTORMAPTTSHR
SCHEMBL3879387 0.92 PIK3CA (0.49) PIK3CAMAP3K12MTORMALT1
SCHEMBL3884876 0.91 MALT1 (0.44) PIK3CAMALT1MAPTTSHRHSD17B10
SCHEMBL3876785 0.90 GALR2 (0.43) PIK3CAMALT1MAPTTSHRMAPK1
SCHEMBL3888444 0.90 TRPV1 (0.49) PIK3CAMAP3K12MTOR
SCHEMBL3878644 0.90 TRPV1 (0.49) PIK3CAMAP3K12MTOR
SCHEMBL4151864 0.89 MTOR (0.46) PIK3CAMAP3K12MTORMAPTTSHR
SCHEMBL3879003 0.89 MALT1 (0.46) PIK3CAMAP3K12MTORMALT1
SCHEMBL13761243 0.89 TRPV1 (0.47) PIK3CAMTORMALT1

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 PIK3CA 1107/4885MAP3K12 2603/4885MTOR 2949/4885

“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.