SCHEMBL16571716

SCHEMBL16571716

N#Cc1cc(-c2ccc(Cl)cc2)c2[nH]c(C(N)=O)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2 P11137 2/20 0.43
▸ XDH P47989 3/20 0.40
▸ SLC22A12 Q96S37 3/20 0.40
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ IKBKB O14920 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ CASP1 P29466 1/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL16571180 0.91 SLC22A12 (0.42) MAP2XDHSLC22A12CCNCCDK8
SCHEMBL19478363 0.89 SCN9A (0.41) MAP2XDHSLC22A12CCNCCDK8
SCHEMBL16571739 0.88 XDH (0.40) XDHSLC22A12PARP1KDM1ACHEK2
SCHEMBL19478158 0.88 GRM2 (0.45) XDHSLC22A12CCNCCDK8KDM1A
SCHEMBL16571408 0.86 IKBKB (0.40) MAP2XDHSLC22A12CCNCCDK8
SCHEMBL16580061 0.86 PARP1 (0.39) MAP2XDHSLC22A12CCNCCDK8
SCHEMBL16571420 0.85 ALOX15 (0.49) XDHSLC22A12KMT2APOLBALDH1A1
SCHEMBL19478334 0.85 XDH (0.38) MAP2XDHSLC22A12CCNCCDK8
SCHEMBL16571358 0.85 XDH (0.41) MAP2XDHSLC22A12PARP1MET
SCHEMBL16571189 0.85 KDM4E (0.43) MAP2CDK8KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044207-B1 INDOL-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-10-18 — — EP claimed
US-9464049-B2 Indole-carboxamides HOFFMANN-LA ROCHE INC. (US) 2016-10-11 — — US claimed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US claimed
CN-105555763-A Indole-carboxamide derivatives HOFFMANN LA ROCHE 2016-05-04 — — CN claimed
EP-3044207-B1 INDOL-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-10-18 — — EP disclosed
EP-3044207-B1 INDOL-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-10-18 — — EP disclosed
US-9464049-B2 Indole-carboxamides HOFFMANN-LA ROCHE INC. (US) 2016-10-11 — — US disclosed
US-9464049-B2 Indole-carboxamides HOFFMANN-LA ROCHE INC. (US) 2016-10-11 — — US disclosed
US-9464049-B2 Indole-carboxamides HOFFMANN-LA ROCHE INC. (US) 2016-10-11 — — US disclosed
EP-3044207-A1 INDOL-CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-07-20 — — EP disclosed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
CN-105555763-A Indole-carboxamide derivatives HOFFMANN LA ROCHE 2016-05-04 — — CN disclosed
WO-2015036412-A1 INDOL-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-03-19 — — WO disclosed
WO-2015036412-A1 INDOL-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-03-19 — — 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-20160185721-A1 INDOLE-CARBOXAMIDES DRD2, HCRTR1, CDR2 MAP2 248/4885XDH 1297/4885SLC22A12 668/4885

“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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