SCHEMBL17134840

SCHEMBL17134840

Cc1cccc(Nc2c(C(=O)N3CCC4(CC3)CNc3ccccc3C4)cnc(S(N)(=O)=O)c2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CNR2 P34972 5/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ AURKB Q96GD4 3/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL17135019 0.80 CNR2 (0.40) KDM4ERAB9ACNR2CNR1CSF1R
SCHEMBL17134922 0.79 CA12 (0.39) KDM4ERAB9ACNR2AURKBKMT2A
SCHEMBL17134634 0.79 ENPP2 (0.36) RAB9AAURKBKMT2AAURKA
SCHEMBL17134741 0.78 ALDH1A1 (0.42) KDM4ERAB9ACNR2CNR1CYP1A2
SCHEMBL17134905 0.78 POLB (0.42) KDM4ERAB9ACNR1AURKBKMT2A
SCHEMBL17134930 0.78 PKLR (0.41) KDM4ERAB9AALDH1A1PKLRMAPT
SCHEMBL17292884 0.77 DRD4 (0.44) KDM4ERAB9AKMT2AMAPTTP53
SCHEMBL17135113 0.76 MAPT (0.37) KDM4ERAB9ACNR2CNR1CYP2D6
SCHEMBL17134855 0.74 DRD4 (0.41) KDM4ERAB9AALDH1A1MAPT
SCHEMBL19971160 0.73 AURKB (0.35) KDM4ERAB9ACNR2CNR1AURKB

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 KDM4E 1474/4885RAB9A 2144/4885CNR2 440/4885

“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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