SCHEMBL17134634

SCHEMBL17134634

Cc1cccc(Nc2c(C(=O)N3CCC4(CC3)Cc3ccccc3N(C(=O)OCc3ccccc3)C4)cnc(S(N)(=O)=O)c2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.36
▸ ATXN2 Q99700 3/20 0.36
▸ ACACB O00763 1/20 0.36
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ JAK2 O60674 4/20 0.34
▸ JAK1 P23458 4/20 0.34
▸ AURKB Q96GD4 3/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ AURKA O14965 2/20 0.33
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL17134840 0.79 KDM4E (0.36) RAB9AAURKBKMT2AAURKA
SCHEMBL17134922 0.77 CA12 (0.39) RAB9AAURKBKMT2AAURKAOPRD1
SCHEMBL17134905 0.75 POLB (0.42) RAB9AAURKBKMT2A
SCHEMBL17134930 0.72 PKLR (0.41) RAB9A
SCHEMBL17135113 0.72 MAPT (0.37) RAB9AAURKBKMT2AAURKA
SCHEMBL17134741 0.71 ALDH1A1 (0.42) RAB9AAURKBKMT2AAURKA
SCHEMBL17134773 0.69 CSF1R (0.45) AURKBKMT2AAURKA
SCHEMBL17135080 0.69 AURKB (0.62) AURKBAURKA
SCHEMBL17134855 0.69 DRD4 (0.41) NPC1RAB9A
SCHEMBL17134675 0.68 NPC1 (0.52) ENPP2ATXN2NPC1RAB9AL3MBTL1

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-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 — — EP disclosed
US-9701689-B2 Substituted pyridines and pyridazines as CCR10 receptor inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-11 — — US disclosed
US-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-22 — — US disclosed
EP-2927214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-10-07 — — EP 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-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ARG1, H1-0, TYR ENPP2 1439/4885ATXN2 1696/4885ACACB 4206/4885

“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.

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