SCHEMBL2321559

SCHEMBL2321559

CN1CCN(C(=O)c2c3c(nc4ccccc24)CCN(C(=O)CNc2ccc(C#N)cc2)C3)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ PDE5A O76074 8/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDE6D O43924 1/20 0.39
▸ PDE6A P16499 1/20 0.39
▸ PDE6G P18545 1/20 0.39
▸ PDE6B P35913 1/20 0.39
▸ PDE6C P51160 1/20 0.39
▸ PDE6H Q13956 1/20 0.39

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
SCHEMBL2317218 0.92 MAPT (0.45) MAPTKMT2AKDM4EMEN1HTT
SCHEMBL2450519 0.91 SMN1; SMN2 (0.43) MAPTPDE5AKMT2ACYP3A4CYP2D6
SCHEMBL2323530 0.90 MAPT (0.42) MAPTPDE5AKMT2ACYP3A4CYP2D6
SCHEMBL2319203 0.82 PIK3CD (0.43) MAPTPDE5AKMT2ACYP3A4CYP2D6
SCHEMBL2449912 0.81 ALDH1A1 (0.45) MAPTKMT2AKDM4EMEN1HTT
SCHEMBL2321191 0.77 ALDH1A1 (0.48) MAPTPDE5AKMT2ACYP3A4CYP2C9
SCHEMBL2318728 0.73 KMT2A (0.62) MAPTKMT2AKDM4EMEN1HTT
SCHEMBL2321540 0.72 MAPK1 (0.48) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL2320811 0.71 MAPK1 (0.41) MAPTKMT2ACYP2C9CYP2C19KDM4E
SCHEMBL12301080 0.71 HRH4 (0.46) MAPTKDM4ENPC1RAB9ASMN1; SMN2

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-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
EP-2352733-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN Merck Patent GmbH (DE) 2011-08-10 — — EP disclosed
WO-2010060532-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN MERCK PATENT GMBH (DE) 2010-06-03 — — WO 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-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN ENPP2, TPX2, TPD52L2 MAPT 2887/4885PDE5A 3639/4885KMT2A 1069/4885

“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.

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