SCHEMBL14060244

SCHEMBL14060244

N#CCNC(=O)c1cc(Cl)c(C(=O)O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
HPGD P15428 3/20 0.41
CTSB P07858 5/20 0.40
EPHX2 P34913 2/20 0.40
CTSL P07711 6/20 0.40
POLB P06746 2/20 0.40
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
CTSK P43235 6/20 0.39
CTSV O60911 4/20 0.39
CTSS P25774 4/20 0.39
NR1H4 Q96RI1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37

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
SCHEMBL14060028 0.81 HPGD (0.44) HPGDEPHX2POLBHTTALOX15
SCHEMBL10645430 0.80 RAB9A (0.54) MRGPRX4CTSBCTSLCTSKCTSV
SCHEMBL11356407 0.79 HPGD (0.62) MRGPRX4HPGDCTSBEPHX2POLB
SCHEMBL14059693 0.77 HPGD (0.68) HPGDKDM4EALDH1A1GAA
SCHEMBL14060468 0.77 HPGD (0.65) HPGDPOLBHTTKDM4EALDH1A1
SCHEMBL14060463 0.77 HPGD (0.63) HPGDEPHX2POLBHTTKDM4E
SCHEMBL14060151 0.75 ALDH1A1 (0.53) HPGDHTTKDM4EALDH1A1GAA
SCHEMBL10645078 0.74 GAA (0.50) CTSBCTSLPOLBCTSKCTSV
SCHEMBL23978781 0.73 MAOA (0.53) MRGPRX4EPHX2GAA
SCHEMBL9873510 0.73 CYP1A2 (0.56) MRGPRX4CTSBHTTKDM4EALDH1A1

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
US-9364466-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-06-14 US disclosed
EP-2714688-B1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2016-02-24 EP disclosed
US-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-11 US disclosed
US-8980911-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-03-17 US disclosed
US-20140155398-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-06-05 US disclosed
WO-2012160464-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-29 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 (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-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K1, JAK2, AKT1 MRGPRX4 1536/4885HPGD 608/4885CTSB 2957/4885
US-20140155398-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K1, JAK2, AKT1 MRGPRX4 1536/4885HPGD 608/4885CTSB 2957/4885

“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.