Sugi Predict

Sugi Predict / Compounds / SCHEMBL2886893

SCHEMBL2886893

SCHEMBL2886893

CN(C)/C=C/c1ccc(C#N)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ AR P10275 2/20 0.38
▸ RAD51 Q06609 1/20 0.37
▸ VCAM1 P19320 1/20 0.36
▸ TTR P02766 2/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ CYP11B1 P15538 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ APP P05067 1/20 0.34
▸ PDK1 Q15118 1/20 0.33

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
SCHEMBL2464723 1.00 ALDH1A1 (0.43) ALDH1A1MAPTNPC1RAB9APOLB
SCHEMBL170120 0.80 RAD51 (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL395034 0.79 RAD51 (0.36) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL395035 0.79 RAD51 (0.36) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL12653177 0.78 AR (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11493667 0.77 RAD51 (0.44) ARRAD51VCAM1TTR
SCHEMBL11493665 0.77 RAD51 (0.44) ARRAD51VCAM1TTR
SCHEMBL2885976 0.76 TRPV4 (0.43) ARRAD51APP
SCHEMBL2460414 0.76 TRPV4 (0.43) ARRAD51APP
SCHEMBL121887 0.75 RAD51 (0.54) RAD51CYP11B1APPCYP11B2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051316-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridine amides and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 — — US disclosed
US-20140100243-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINE AMIDES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-10 — — US disclosed
US-8436180-B2 Substituted-4-aryl-1,4-dihydro-1,6-naphthyridinamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-07 — — US disclosed
US-8404709-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 — — US disclosed
US-20100305052-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 — — US disclosed
US-20100136142-A1 SUBSTITUTED-4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF BAYER SCHERING PAHARMA AKTIENGESELLSCHAFT (DE) 2010-06-03 — — 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 (3 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-20100305052-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF QDPR, NQO1, NAT1 ALDH1A1 101/4885MAPT 4062/4885NPC1 36/4885
US-20140100243-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINE AMIDES AND THEIR USE NAT1, AADAC, QDPR ALDH1A1 120/4885MAPT 4370/4885NPC1 62/4885
US-20100136142-A1 SUBSTITUTED-4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF NAT1, AADAC, QDPR ALDH1A1 179/4885MAPT 4510/4885NPC1 169/4885

“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.