SCHEMBL14971797

SCHEMBL14971797

Cc1nc2c(c(C)c(C)n2CCC#N)c(-c2ccc(Cl)cc2)c1[C@@H](OC(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.33
▸ CYP1A2 P05177 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ SLCO1B1 Q9Y6L6 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ TRPC3 Q13507 1/20 0.31
▸ TRPC7 Q9HCX4 1/20 0.31
▸ USP2 O75604 2/20 0.31
▸ CASP1 P29466 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CASP7 P55210 1/20 0.31

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
SCHEMBL14971818 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1CYP1A2HPGDMEN1
SCHEMBL14972088 0.92 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL14971945 0.92 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL15993481 0.92 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL18237144 0.92 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL15993682 0.90 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDKDM4ESLCO1B1
SCHEMBL14971787 0.90 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDKDM4ESLCO1B1
SCHEMBL15993120 0.90 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDKDM4ESLCO1B1
SCHEMBL14971932 0.90 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDKDM4EIDH1
SCHEMBL15992934 0.90 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDKDM4EIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499537-B2 Antiviral pyrrolopyridine derivatives and method for preparing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-11-22 — — US disclosed
US-20140249162-A1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVES AND METHOD FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-09-04 — — US disclosed
WO-2013073875-A1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVE AND A PRODUCTION METHOD FOR SAME 한국화학연구원 (KR) 2013-05-23 — — 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-20140249162-A1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVES AND METHOD FOR PREPARING THE SAME MAVS, IMPDH1, SARS1 CYP3A4 1477/4885ALDH1A1 2320/4885CYP1A2 2277/4885

“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.

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