SCHEMBL17093036

SCHEMBL17093036

CCOC(=O)c1cnc2c(Br)cc(C#N)cn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
HSD17B10 Q99714 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
ELANE P08246 2/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TGFBR1 P36897 1/20 0.35
GRM5 P41594 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL17093201 0.84 IDO1 (0.44) KDM4EHSD17B10ALDH1A1POLBHPGD
SCHEMBL29277603 0.81 IDO1 (0.40) KDM4EHSD17B10ALDH1A1POLBHPGD
SCHEMBL17093206 0.81 TGFBR1 (0.41) KDM4EHSD17B10ALDH1A1HPGDIDO1
SCHEMBL17093165 0.81 LMNA (0.45) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL17093134 0.79 POLB (0.40) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL17093122 0.79 KDM4E (0.36) KDM4EHSD17B10ALDH1A1MAPTPOLB
SCHEMBL17093089 0.78 IDO1 (0.37) KDM4EHSD17B10ALDH1A1POLBELANE
SCHEMBL2048928 0.77 TGFBR1 (0.51) KDM4EALDH1A1MAPTELANEHPGD
SCHEMBL19127286 0.75 SMN1; SMN2 (0.48) KDM4EHSD17B10ALDH1A1MAPTPOLB
SCHEMBL30967371 0.74 IDO1 (0.42) KDM4EALDH1A1IDO1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927229-B1 BENZENE-FUSED 5-MEMBERED NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS USEFUL FOR PROPHYLAXIS OR TREATMENT OF NEURODEGENERATIVE DISEASES OR EPILEPSY TAKEDA PHARMACEUTICALS CO (JP) 2018-09-05 EP disclosed
US-9296746-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-29 US disclosed
EP-2927229-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-10-07 EP disclosed
US-20150266872-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 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-20150266872-A1 HETEROCYCLIC COMPOUND HTT, BDNF, SNCA KDM4E 1874/4885HSD17B10 1213/4885ALDH1A1 419/4885

“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.