SCHEMBL17818478

SCHEMBL17818478

Cc1c(Br)ccc(C(N)=O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
JAK2 O60674 1/20 0.40
BTK Q06187 1/20 0.40
DGAT1 O75907 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
NNMT P40261 1/20 0.37
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CDC7 O00311 1/20 0.36
EEF2K O00418 1/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
INSR P06213 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL2473014 0.84 GABRP (0.44) ALDH1A1MAPTTDP1MEN1MAPK1
SCHEMBL3117625 0.83 ERN1 (0.47) ERN1JAK2BTKDGAT1ALDH1A1
SCHEMBL8684832 0.80 ERN1 (0.49) ERN1JAK2BTKDGAT1ALDH1A1
SCHEMBL27899235 0.79 GAA (0.38) JAK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2472606 0.79 KDM4E (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7761691 0.79 TDP1 (0.42) JAK2BTKDGAT1ALDH1A1MAPT
SCHEMBL149886 0.78 DGAT1 (0.47) ERN1JAK2BTKDGAT1ALDH1A1
SCHEMBL30880334 0.78 DGAT1 (0.47) ERN1JAK2BTKDGAT1ALDH1A1
SCHEMBL24630649 0.76 DGAT1 (0.48) ERN1JAK2BTKDGAT1ALDH1A1
SCHEMBL6737694 0.76 KMT2A (0.48) ALDH1A1MAPTNNMTSIRT3TDP1

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
EP-3229593-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS Synereca Pharmaceuticals, Inc. (US) 2017-10-18 EP disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 ERN1 603/4885JAK2 4165/4885BTK 503/4885

“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.