Sugi Predict

Sugi Predict / Compounds / SCHEMBL695688

SCHEMBL695688

SCHEMBL695688

CN(C)C=C(C(=O)c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GLA P06280 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
SCHEMBL695687 1.00 LMNA (0.43) LMNACYP1A2CYP2C19CES2CES1
SCHEMBL4744617 0.89 LMNA (0.45) LMNACYP1A2CYP2C19CES2CES1
SCHEMBL31391139 0.89 LMNA (0.53) LMNACYP1A2CES2CES1ALDH1A1
SCHEMBL544738 0.89 LMNA (0.53) LMNACYP1A2CES2CES1ALDH1A1
SCHEMBL544739 0.89 LMNA (0.53) LMNACYP1A2CES2CES1ALDH1A1
SCHEMBL31204574 0.89 LMNA (0.53) LMNACYP1A2CES2CES1ALDH1A1
SCHEMBL11890416 0.89 LMNA (0.53) LMNACYP1A2CES2CES1ALDH1A1
SCHEMBL694661 0.86 LMNA (0.43) LMNACES2CES1ALDH1A1POLB
SCHEMBL694660 0.86 LMNA (0.43) LMNACES2CES1ALDH1A1POLB
SCHEMBL15445119 0.78 CES1 (0.40) LMNACES1ALDH1A1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421864-B1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-08-06 — — EP disclosed
US-8461175-B2 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2013-06-11 — — US disclosed
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 — — US disclosed
EP-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 — — EP disclosed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 — — 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-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, CYP4F3, HCCS LMNA 1493/4885CYP1A2 69/4885CYP2C19 305/4885

“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.