SCHEMBL3963930

SCHEMBL3963930

CC(=O)Nc1ccc(-c2nc(Nc3cc[nH]n3)cc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.43
MEN1 O00255 8/20 0.43
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 7/20 0.43
PDE10A Q9Y233 1/20 0.42
MAPT P10636 6/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
CYP2C19 P33261 1/20 0.42
KDM1A O60341 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.42
RECQL P46063 1/20 0.42
TTK P33981 1/20 0.41
MAPK8 P45983 1/20 0.41

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
SCHEMBL3967873 0.87 MAPT (0.40) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL3969930 0.85 SLC2A1 (0.45) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL3967786 0.84 AURKA (0.57) AURKAAURKB
SCHEMBL3969357 0.83 MAP2K4 (0.46) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL3965196 0.83 SMN1; SMN2 (0.43) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL3965462 0.83 ALDH1A1 (0.40) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL27747259 0.83 ROCK1 (0.39) KMT2AMEN1PDE10A
SCHEMBL3969975 0.82 MAT2A (0.38) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL4206197 0.80 MAP4K4 (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL3967582 0.80 ALDH1A1 (0.40) KMT2AMEN1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US claimed
CN-101341145-A Isoquinoline aminopyrazole derivatives, their manufacture and use as pharmaceutical agents for the treatment of cancer HOFFMANN LA ROCHE (CH) 2009-01-07 CN claimed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US claimed
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
CN-101341145-A Isoquinoline aminopyrazole derivatives, their manufacture and use as pharmaceutical agents for the treatment of cancer HOFFMANN LA ROCHE (CH) 2009-01-07 CN disclosed
EP-1966190-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
WO-2007071348-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 WO disclosed
WO-2007071348-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 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-20070179151-A1 Isoquinoline aminopyrazole derivatives CYP3A5, CYP3A43, CYP3A4 KMT2A 2959/4885MEN1 2037/4885KDM4E 2767/4885

“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.