SCHEMBL5514178

SCHEMBL5514178

CC1CCCN1c1cc(-c2ccc(F)c(Cl)c2)nc(N2CCN(c3nccnc3Cl)CC2C)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.39
MAP3K12 Q12852 4/20 0.37
TRPV1 Q8NER1 5/20 0.37
PDPK1 O15530 1/20 0.36
TGFBR1 P36897 1/20 0.36
AURKB Q96GD4 1/20 0.36
KHK P50053 2/20 0.35
SYK P43405 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
GRM2 Q14416 1/20 0.34
MTOR P42345 2/20 0.34
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL3879879 1.00 MALT1 (0.39) MALT1MAP3K12TRPV1PDPK1TGFBR1
SCHEMBL3877920 1.00 MALT1 (0.39) MALT1MAP3K12TRPV1PDPK1TGFBR1
SCHEMBL5517187 1.00 MALT1 (0.39) MALT1MAP3K12TRPV1PDPK1TGFBR1
SCHEMBL3882168 1.00 MALT1 (0.39) MALT1MAP3K12TRPV1PDPK1TGFBR1
SCHEMBL13761553 1.00 MALT1 (0.39) MALT1MAP3K12TRPV1PDPK1TGFBR1
SCHEMBL3888066 1.00 MALT1 (0.39) MALT1MAP3K12TRPV1PDPK1TGFBR1
SCHEMBL13761568 1.00 MALT1 (0.39) MALT1MAP3K12TRPV1PDPK1TGFBR1
SCHEMBL13761550 1.00 MALT1 (0.39) MALT1MAP3K12TRPV1PDPK1TGFBR1
SCHEMBL3877691 1.00 MALT1 (0.39) MALT1MAP3K12TRPV1PDPK1TGFBR1
SCHEMBL3888291 0.94 MAP3K12 (0.38) MALT1MAP3K12TRPV1PDPK1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MALT1 1393/4885MAP3K12 2603/4885TRPV1 244/4885

“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.