SCHEMBL18159119

SCHEMBL18159119

CCc1[nH]c2c(C#N)cnn2c(=O)c1CC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 12/20 0.53
▸ KDM4C Q9H3R0 1/20 0.41
▸ PLAT P00750 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RECQL P46063 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
SCHEMBL16047129 0.91 KDM5A (0.50) KDM5AKDM4CPLATKDM4EALDH1A1
SCHEMBL16048043 0.91 KDM5A (0.50) KDM5AKDM4CPLATKDM4EALDH1A1
SCHEMBL16047075 0.90 KDM5A (0.49) KDM5AKDM4CPLATKDM4EALDH1A1
SCHEMBL16046459 0.89 KDM5A (0.48) KDM5AKDM4CPLATKDM4EALDH1A1
SCHEMBL16046985 0.87 KDM5A (0.47) KDM5AKDM4CPLATKDM4EALDH1A1
SCHEMBL16046861 0.86 KDM5A (0.46) KDM5AKDM4CPLATKDM4EALDH1A1
SCHEMBL16046987 0.86 KDM5A (0.56) KDM5AKDM4CPLATKDM4EALDH1A1
SCHEMBL16077832 0.85 KDM5A (0.46) KDM5AKDM4CPLATKDM4EALDH1A1
SCHEMBL16046157 0.85 KDM5A (0.46) KDM5AKDM4CPLATKDM4EALDH1A1
SCHEMBL16050639 0.85 KDM5A (0.52) KDM5AKDM4CPLATKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303095-A1 METHODS OF TREATING HEPATITIS B VIRUS GILEAD SCIENCES, INC. 2016-10-20 — — 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-20160303095-A1 METHODS OF TREATING HEPATITIS B VIRUS KDM1B, KDM5B, KDM5A KDM5A 3/4885KDM4C 23/4885PLAT 3247/4885

“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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