SCHEMBL14330890

SCHEMBL14330890

CNC1(C(N)=O)CCN(c2c(F)cccc2NC=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPK8 P45983 5/20 0.33
▸ MAPK10 P53779 5/20 0.33
▸ AMPD2 Q01433 2/20 0.32
▸ OPRL1 P41146 2/20 0.31
▸ HTR5A P47898 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14328409 0.88 KMT2A (0.37) ALDH1A1CYP2D6KMT2AKDM4EMAPK8
SCHEMBL14330869 0.84 ALDH1A1 (0.37) ALDH1A1CYP2D6KMT2AKDM4EMAPK8
SCHEMBL14206542 0.82 KDM4E (0.38) ALDH1A1CYP2D6KMT2AKDM4EMAPK8
SCHEMBL14330896 0.81 ALDH1A1 (0.39) ALDH1A1CYP2D6KMT2AKDM4EL3MBTL1
SCHEMBL14207041 0.77 ALDH1A1 (0.40) ALDH1A1CYP2D6KMT2AKDM4EL3MBTL1
SCHEMBL13322705 0.70 ALDH1A1 (0.42) ALDH1A1CYP2D6KMT2AKDM4EL3MBTL1
SCHEMBL10151195 0.70 KDM4E (0.38) ALDH1A1CYP2D6KMT2AKDM4E
SCHEMBL14206459 0.69 CHEK1 (0.54) —
SCHEMBL11888022 0.67 MAPK1 (0.41) ALDH1A1CYP2D6KMT2AKDM4E
SCHEMBL14328397 0.67 THRB (0.40) ALDH1A1CYP2D6KMT2AKDM4EL3MBTL1

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-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 — — 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-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 ALDH1A1 3548/4885CYP2D6 3306/4885KMT2A 3820/4885

“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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