SCHEMBL3782932

SCHEMBL3782932

CC(NC(=O)O)c1nc2cccc(Cl)c2cc1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
PIK3CD O00329 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TACR3 P29371 1/20 0.38
JAK2 O60674 1/20 0.38
CYP2C9 P11712 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
SCHEMBL20061355 0.87 SCN9A (0.40) KDM4EALDH1A1KMT2ACYP3A4MEN1
SCHEMBL3775682 0.87 SCN9A (0.40) KDM4EALDH1A1KMT2ACYP3A4MEN1
SCHEMBL3788887 0.84 PIK3CD (0.42) MAPK1KDM4EALDH1A1KMT2APIK3CD
SCHEMBL20061281 0.84 METAP1 (0.43) MAPK1KDM4EKMT2APIK3CDSMN1; SMN2
SCHEMBL20067855 0.82 METAP1 (0.41) KDM4EKMT2APIK3CDMEN1JAK2
SCHEMBL2717683 0.82 METAP1 (0.41) KDM4EKMT2APIK3CDMEN1JAK2
SCHEMBL2730629 0.79 PIK3CD (0.42) MAPK1KDM4EALDH1A1KMT2APIK3CD
SCHEMBL2731713 0.77 BRD4 (0.41) KDM4EALDH1A1KMT2APIK3CDSMN1; SMN2
SCHEMBL20081269 0.77 METAP1 (0.46) MAPK1KDM4EKMT2ASMN1; SMN2TDP1
SCHEMBL3780375 0.77 PIK3CD (0.60) KDM4EALDH1A1KMT2APIK3CDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312175-B1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2020-07-22 EP disclosed
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
EP-2445900-B1 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES AMGEN INC (US) 2016-03-02 EP disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 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-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 MAPK1 1089/4885KDM4E 1810/4885ALDH1A1 3890/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 MAPK1 1094/4885KDM4E 1806/4885ALDH1A1 3905/4885

“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.