SCHEMBL16571390

SCHEMBL16571390

N#Cc1cc(-c2ccnc(Cl)c2)c2[nH]c(C(N)=O)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 4/20 0.47
▸ CDK8 P49336 4/20 0.47
▸ NUDT1 P36639 1/20 0.39
▸ XDH P47989 2/20 0.36
▸ SLC22A12 Q96S37 2/20 0.36
▸ MYC P01106 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ CDC7 O00311 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ HIPK2 Q9H2X6 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP11 Q9NR21 1/20 0.34

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
SCHEMBL16571148 0.87 NUDT1 (0.43) CCNCCDK8NUDT1XDHSLC22A12
SCHEMBL16570776 0.87 XDH (0.36) CCNCCDK8NUDT1XDHSLC22A12
SCHEMBL16580061 0.85 PARP1 (0.39) CCNCCDK8NUDT1XDHSLC22A12
SCHEMBL16571181 0.85 CCNC (0.51) CCNCCDK8XDHSLC22A12CDC7
SCHEMBL16571150 0.84 CCNC (0.45) CCNCCDK8NUDT1MYCCDC7
SCHEMBL16571539 0.84 CCNC (0.35) CCNCCDK8NUDT1SYK
SCHEMBL19458073 0.83 CCNC (0.50) CCNCCDK8NUDT1PARP10PARP11
SCHEMBL16571716 0.82 MAP2 (0.43) CCNCCDK8XDHSLC22A12CASP1
SCHEMBL16571180 0.81 SLC22A12 (0.42) CCNCCDK8XDHSLC22A12MYC
SCHEMBL16571686 0.80 XDH (0.39) CCNCCDK8XDHSLC22A12CYP11B2

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
EP-3044207-A1 INDOL-CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-07-20 — — EP claimed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US claimed
WO-2015036412-A1 INDOL-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-03-19 — — WO 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
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 CCNC 860/4885CDK8 3173/4885NUDT1 3175/4885

“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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