SCHEMBL3878956

SCHEMBL3878956

CC1CCCN1c1nc(-c2ccc(F)c(Cl)c2)cc(N2CCN(c3ncccc3F)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.38
DYRK1A Q13627 1/20 0.36
CHI3L1 P36222 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHIT1 Q13231 1/20 0.36
CHI3L2 Q15782 1/20 0.36
CHIA Q9BZP6 1/20 0.36
MAP3K12 Q12852 4/20 0.36
TRPV1 Q8NER1 2/20 0.36
CHRM4 P08173 2/20 0.36
KHK P50053 2/20 0.35
GALR2 O43603 1/20 0.35
GALR1 P47211 1/20 0.35
SYK P43405 1/20 0.35
SLC9A1 P19634 1/20 0.35

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
SCHEMBL3878041 0.95 MALT1 (0.44) MALT1DYRK1AMAP3K12TRPV1CHRM4
SCHEMBL3875754 0.93 TRPV1 (0.37) MALT1DYRK1AMAP3K12TRPV1CHRM4
SCHEMBL3877937 0.92 DYRK1A (0.38) DYRK1AKCNH2MAP3K12TRPV1CHRM4
SCHEMBL3877824 0.91 MALT1 (0.41) MALT1DYRK1AMAP3K12CHRM4KHK
SCHEMBL3879378 0.91 TRPV1 (0.47) TRPV1GALR2GALR1
SCHEMBL3878207 0.90 GRM5 (0.41) DYRK1AMAP3K12TRPV1KHKGALR2
SCHEMBL13761444 0.90 MALT1 (0.47) MALT1
SCHEMBL3887559 0.89 SYK (0.43) DYRK1AMAP3K12TRPV1CHRM4KHK
SCHEMBL3876175 0.88 TRPV1 (0.48) TRPV1CHRM4KHKGALR2GALR1
SCHEMBL3879062 0.88 TRPV1 (0.43) MALT1DYRK1ATRPV1CHRM4

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 MALT1 1393/4885DYRK1A 2887/4885CHI3L1 2656/4885

“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.