SCHEMBL16761769

SCHEMBL16761769

COC(=O)c1cc(N)nc(Cl)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
GAA P10253 4/20 0.47
ABL1 P00519 1/20 0.46
NQO2 P16083 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 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
SCHEMBL30823904 0.83 KDM4E (0.47) KDM4EGAAABL1ALDH1A1HPGD
SCHEMBL29592465 0.83 KDM4E (0.54) KDM4EGAAABL1NQO2ALDH1A1
SCHEMBL12701205 0.83 KDM4E (0.54) KDM4EGAAABL1NQO2ALDH1A1
SCHEMBL27151963 0.83 KDM4E (0.47) KDM4EGAAABL1ALDH1A1HPGD
SCHEMBL25198877 0.82 GAA (0.46) KDM4EGAAABL1NQO2ALDH1A1
SCHEMBL16761250 0.82 GAA (0.46) KDM4EGAAABL1NQO2ALDH1A1
SCHEMBL29818569 0.82 GAA (0.46) KDM4EGAAABL1NQO2ALDH1A1
SCHEMBL30380295 0.80 GAA (0.47) KDM4EGAAABL1NQO2ALDH1A1
SCHEMBL31267853 0.80 L3MBTL1 (0.41) KDM4EGAAABL1NQO2ALDH1A1
SCHEMBL5249944 0.78 KDM4E (0.39) KDM4EGAAABL1NQO2ALDH1A1

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-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-9540366-B2 Ring-fused heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-01-10 US disclosed
US-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-08 US disclosed
EP-2881394-A1 CONDENSED RING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-06-10 EP disclosed
CN-104619707-A Condensed ring heterocyclic compound KYOWA HAKKO KIRIN CO LTD 2015-05-13 CN 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-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND TRPV1, TRPV2, TRPV3 KDM4E 3471/4885GAA 4665/4885ABL1 1774/4885

“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.