SCHEMBL16580105

SCHEMBL16580105

Cn1c(C(N)=O)cc2cc(C#N)cc(-c3ccc(C(F)(F)F)cc3)c21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.41
▸ XDH P47989 4/20 0.41
▸ SLC22A12 Q96S37 3/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ KDM1A O60341 3/20 0.39
▸ RXRA P19793 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ MTTP P55157 1/20 0.36
▸ CNR1 P21554 2/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ PARP1 P09874 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
SCHEMBL19478329 0.89 BACE1 (0.36) KIF11BACE1MTTPDHODHPARP1
SCHEMBL16570944 0.87 SLC22A12 (0.39) XDHSLC22A12KDM1A
SCHEMBL19478304 0.86 SCN9A (0.40) PTGDR2XDHSLC22A12
SCHEMBL16580114 0.86 GRM2 (0.44) XDHSLC22A12KDM1A
SCHEMBL16580059 0.86 NTRK1 (0.48) XDHSLC22A12KDM1ACNR1
SCHEMBL19457992 0.85 CCNC (0.44) XDHSLC22A12
SCHEMBL16580108 0.85 SLC22A12 (0.39) XDHSLC22A12KDM1ACNR1
SCHEMBL16580111 0.84 SLC22A12 (0.38) PTGDR2XDHSLC22A12KDM1APARP1
SCHEMBL16580115 0.83 SLC22A12 (0.37) XDHSLC22A12KDM1A
SCHEMBL16580116 0.83 MCL1 (0.43) XDHSLC22A12PARP1

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 12 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
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
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
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 PTGDR2 1021/4885XDH 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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