SCHEMBL3967417

SCHEMBL3967417

COc1ccc(CCC(=O)O)c(Cl)c1OC

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SLC2A1 P11166 1/20 0.46
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
FFAR4 Q5NUL3 6/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
MC4R P32245 1/20 0.40
FFAR1 O14842 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40

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
SCHEMBL4019177 0.88 POLB (0.48) POLBFFAR4LMNACTSGCMA1
SCHEMBL11111891 0.87 POLB (0.50) POLBFFAR4LMNAFFAR1CPT1A
SCHEMBL490405 0.85 AOC3 (0.53) POLBFFAR4KDM4EMAPTTDP1
SCHEMBL10622242 0.84 HSD17B10 (0.53) POLBSLC2A1KDM1AMAOBKDM4E
SCHEMBL4857645 0.83 POLB (0.50) POLBFFAR4FFAR1
SCHEMBL21317656 0.83 TDP1 (0.54) POLBFFAR4KDM4EMAPTTDP1
SCHEMBL29999191 0.83 TDP1 (0.54) POLBFFAR4KDM4EMAPTTDP1
SCHEMBL7821976 0.81 POLB (0.48) POLBFFAR4KDM4EMAPTTDP1
SCHEMBL7366498 0.81 POLB (0.51) POLBFFAR4KDM4EMAPTTDP1
SCHEMBL10618546 0.80 SLC2A1 (0.50) POLBSLC2A1KDM1AMAOBKDM4E

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 10 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 disclosed
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
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 POLB 1313/4885SLC2A1 1996/4885KDM1A 3704/4885

“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.