SCHEMBL18367759

SCHEMBL18367759

O=C(c1ccccc1)c1cn(C2CCCCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.47
CDK5R1 Q15078 4/20 0.47
KDM2B Q8NHM5 2/20 0.44
KDM4A O75164 1/20 0.44
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
CPB2 Q96IY4 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.41
CPB1 P15086 2/20 0.41
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
GSK3B P49841 1/20 0.40
ELANE P08246 1/20 0.40
HSD11B1 P28845 1/20 0.39
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL19589410 0.86 KDM2B (0.49) CDK5CDK5R1KDM2BKDM4AKDM5A
SCHEMBL2327699 0.82 CPB2 (0.47) CDK5CDK5R1KDM2BKDM5ACPB2
SCHEMBL2331925 0.80 CPB2 (0.45) CDK5CDK5R1KDM2BKDM5ACPB2
SCHEMBL22920147 0.80 CDK5 (0.50) CDK5CDK5R1KDM4EPOLBALDH1A1
SCHEMBL28070514 0.79 CPB2 (0.44) CDK5CDK5R1KDM2BKDM5ACPB2
SCHEMBL6504137 0.79 CPB2 (0.47) CDK5CDK5R1KDM5ACPB2KMT2A
SCHEMBL22702123 0.77 KDM4E (0.50) KDM2BKDM4EKMT2APKM
SCHEMBL12985681 0.77 CDK5 (0.48) CDK5CDK5R1KDM2BKDM5ACPB2
SCHEMBL27869067 0.76 CPB2 (0.40) CDK5CDK5R1KDM2BKDM5ACPB2
Hydrochloric Acid SCHEMBL12985270 0.75 CDK5 (0.47) CDK5CDK5R1KDM2BKDM5ACPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 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 (2 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CDK5 88/4885CDK5R1 125/4885KDM2B 1774/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CDK5 88/4885CDK5R1 125/4885KDM2B 1774/4885

“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.