SCHEMBL2014506

SCHEMBL2014506

COC(=O)c1cccc2nnn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CFTR P13569 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
MGAM O43451 1/20 0.40
F12 P00748 1/20 0.40
AMY1A P0DUB6 1/20 0.40
MIF P14174 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL2013447 0.82 DHODH (0.49) KDM4EGAAKMT2AALDH1A1HSD17B10
SCHEMBL30843989 0.81 SLC9A1 (0.42) KDM4EKMT2ATSHRALDH1A1HSD17B10
SCHEMBL19330648 0.79 CHRM4 (0.48) KDM4EATMGAATSHRALDH1A1
SCHEMBL28897969 0.77 NPC1 (0.50) KDM4EGAAKMT2ATSHRLMNA
SCHEMBL28443180 0.76 SMN1; SMN2 (0.56) KDM4EKMT2ATSHRLMNAALDH1A1
SCHEMBL17921440 0.76 NR4A2 (0.47) KDM4EGAAKMT2ALMNAALDH1A1
SCHEMBL15973235 0.76 L3MBTL1 (0.38) GAAKMT2ATSHRALDH1A1HSD17B10
SCHEMBL1271587 0.76 TDP1 (0.50) SMN1; SMN2MAPTCYP1A2
SCHEMBL2013415 0.75 NR4A2 (0.45) KDM4EATMGAAKMT2ATSHR
SCHEMBL19330772 0.75 SMN1; SMN2 (0.39) GAAKMT2AALDH1A1SMN1; SMN2MAPT

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-2772484-B1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-06-28 EP disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 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-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND HSD11B1, HSD17B11, HSD17B1 KDM4E 3611/4885ATM 4565/4885GAA 1354/4885

“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.