SCHEMBL3961643

SCHEMBL3961643

COc1ccc2c(-c3cccc(C(F)(F)F)c3)nc(Nc3cc[nH]n3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.41
PLAU P00749 2/20 0.41
PLAT P00750 2/20 0.41
PDE4B Q07343 2/20 0.41
PLG P00747 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
MAOA P21397 2/20 0.40
MITF O75030 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
APP P05067 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARD Q03181 1/20 0.37
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL3963975 0.89 PIK3CA (0.42) ABCG2PPARD
SCHEMBL3971321 0.88 ADORA2A (0.42) PDE4BABCG2MAPK13MAPK12MAPK11
SCHEMBL3967386 0.87 PDE4B (0.44) PDE4BABCG2MAPK13MAPK12MAPK11
SCHEMBL3963964 0.86 AURKA (0.48) NR1H4PLAUPLATPDE4BPLG
SCHEMBL3973017 0.85 TP53 (0.39) ABCG2MAPK14MAPTMAPK1
SCHEMBL3967445 0.85 MAPK14 (0.41) ABCG2MAPK13MAPK9MAPK12MAPK11
SCHEMBL3973106 0.85 AURKA (0.42) ABCG2LMNAMAPTMAPK1
SCHEMBL3972508 0.82 CYP1A2 (0.42) MAPT
SCHEMBL3967804 0.82 CLK4 (0.43) ABCG2LMNAMAPK1
SCHEMBL3967378 0.81 TEK (0.35) ABCG2MAPK13MAPK12MAPK11MAPK14

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
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 claimed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US claimed
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 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
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 NR1H4 1335/4885PLAU 4478/4885PLAT 4819/4885

“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.