Sugi Predict

Sugi Predict / Compounds / SCHEMBL10194809

SCHEMBL10194809

SCHEMBL10194809

CN(C)C(=O)CCc1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ CDC7 O00311 2/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ HIPK2 Q9H2X6 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ MIF P14174 1/20 0.36
▸ S1PR1 P21453 3/20 0.36
▸ ITK Q08881 2/20 0.36
▸ MAP2K4 P45985 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LRRK2 Q5S007 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
SCHEMBL9952315 0.88 GRM4 (0.44) ALDH1A1MAPK1RAB9ACDC7GRM4
SCHEMBL10194815 0.82 NPC1 (0.46) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL10195709 0.82 FLT3 (0.49) ALDH1A1MAPK1RAB9ACDC7GRM4
SCHEMBL10194808 0.82 MAPK10 (0.44) ALDH1A1MEN1KMT2ACHEK1
SCHEMBL9951780 0.81 GRM4 (0.45) ALDH1A1MAPK1RAB9ACDC7GRM4
SCHEMBL10194704 0.81 GRM4 (0.46) ALDH1A1CDC7GRM4ROCK2MAP4K4
SCHEMBL17850455 0.81 GRM4 (0.46) ALDH1A1RAB9ACDC7GRM4ROCK2
SCHEMBL9951926 0.81 OGT (0.43) ALDH1A1CDC7GRM4ROCK2MAP4K4
SCHEMBL10194813 0.80 FKBP1A (0.49) ALDH1A1ITKMEN1KMT2ALRRK2
SCHEMBL9952819 0.79 GRM4 (0.44) ALDH1A1MAPK1RAB9ACDC7GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 ALDH1A1 875/4885MAPK1 1717/4885RAB9A 2407/4885

“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.