Sugi Predict

Sugi Predict / Compounds / SCHEMBL15312581

SCHEMBL15312581

SCHEMBL15312581

c1ccc2c(-c3cn(-c4ccc(CN5C[C@@H]6C[C@H]5CO6)cc4)nn3)n[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 3/20 0.40
▸ CDC7 O00311 2/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ HIPK2 Q9H2X6 2/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ GRM4 Q14833 1/20 0.36
▸ PRKACA P17612 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ LRRK2 Q5S007 3/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ S1PR1 P21453 2/20 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
SCHEMBL17836534 1.00 BRAF (0.40) BRAFCDC7ROCK2MAP4K4PIM1
SCHEMBL15317808 0.92 CDC7 (0.38) BRAFCDC7ROCK2MAP4K4PIM1
SCHEMBL10194696 0.80 CDC7 (0.41) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL10194970 0.77 JAK2 (0.47) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL10194977 0.76 FGFR1 (0.45) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL10194704 0.75 GRM4 (0.46) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL17850455 0.75 GRM4 (0.46) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL9951736 0.75 GRM4 (0.46) CDC7ROCK2MAP4K4PIM1CDK2
Hydrochloric Acid SCHEMBL9952647 0.74 GRM4 (0.45) CDC7ROCK2MAP4K4PIM1CDK2
SCHEMBL17850420 0.74 GRM4 (0.34) CDC7ROCK2MAP4K4PIM1CDK2

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 7 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
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

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 BRAF 1506/4885CDC7 1831/4885ROCK2 1273/4885

“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.