SCHEMBL9557367

SCHEMBL9557367

c1cc(C2CCNCC2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.45
MKNK2 Q9HBH9 3/20 0.45
HRH4 Q9H3N8 1/20 0.40
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM5A P29375 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
USP7 Q93009 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
MAPK13 O15264 1/20 0.35
RAF1 P04049 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
SCHEMBL20577255 0.89 HTR3A (0.41) MKNK1MKNK2KDM5AKCNH2
SCHEMBL20577257 0.89 HTR3A (0.41) MKNK1MKNK2KDM5AKCNH2
SCHEMBL5173417 0.86
SCHEMBL29597773 0.86
SCHEMBL3200493 0.82 CAMKK2 (0.44) KDM5AKMT2ACYP1A2HIF1AMAP4K4
SCHEMBL5172903 0.82 MAP4K4 (0.43) KDM5ACYP1A2MAP4K4
SCHEMBL3196861 0.80 CYP11B2 (0.46) KDM5AKMT2AALDH1A1CYP1A2HIF1A
SCHEMBL30736060 0.80 CYP11B2 (0.46) KDM5AKMT2AALDH1A1CYP1A2HIF1A
SCHEMBL3723540 0.80 CHRNB4 (0.37) MKNK1KDM5AHRH3MAP4K4
SCHEMBL2101157 0.78 MAP4K4 (0.36) KDM5AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 EP disclosed
EP-2864331-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed
US-9682980-B2 Positive allosteric modulators of mGluR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-20 US disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 WO disclosed
US-20150152113-A1 Positive Allosteric Modulators of MGLUR2 BRISTOL-MYERS SQUIBB COMPANY 2015-06-04 US disclosed
EP-2864331-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Bristol-Myers Squibb Company (US) 2015-04-29 EP disclosed
WO-2013192306-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-27 WO disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 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-20150152113-A1 Positive Allosteric Modulators of MGLUR2 GRM2, GRM1, GRIN2A MKNK1 1194/4885MKNK2 779/4885HRH4 539/4885

“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.