SCHEMBL4246702

SCHEMBL4246702

OCCNc1cnc(Cl)cc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ GAA P10253 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL594259 0.79 GAA (0.36) CYP2C19GAAKDM4EALDH1A1POLB
SCHEMBL31192905 0.77 ADORA1 (0.37) CYP2C19CYP2D6ADORA1IRAK4
SCHEMBL17119688 0.76 CYP2C19 (0.39) CYP2C19CYP2D6GAAKDM4EALDH1A1
SCHEMBL13659723 0.76 GSR (0.36) CYP2C19CYP2D6GAAKDM4EALDH1A1
SCHEMBL17119689 0.73 CYP2C19 (0.37) CYP2C19CYP2D6GAAKDM4EALDH1A1
SCHEMBL1872686 0.72 KAT2B (0.32) —
SCHEMBL4253770 0.70 EGLN1 (0.33) CYP2C19CYP2D6KMT2APKMSMN1; SMN2
SCHEMBL1427509 0.70 NAPRT (0.35) POLBKMT2ASMN1; SMN2TP53
SCHEMBL21154639 0.67 ALDH1A1 (0.38) CYP2C19CYP2D6GAAKDM4EALDH1A1
SCHEMBL31002053 0.67 IRAK4 (0.32) IRAK4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2826778-B1 Azaindole derivatives as CFTR modulators VERTEX PHARMA (US) 2017-09-20 — — EP disclosed
EP-2826778-B1 Azaindole derivatives as CFTR modulators VERTEX PHARMA (US) 2017-09-20 — — EP disclosed
US-9732080-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-15 — — US disclosed
US-9732080-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-15 — — US disclosed
US-9732080-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-15 — — US disclosed
CN-103159760-B As the 7-azaindole derivatives of CFTR adjusting control agent 沃泰克斯药物股份有限公司 2016-06-08 — — CN disclosed
US-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARAMCEUTICALS INCORPORATED 2015-11-26 — — US disclosed
US-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARAMCEUTICALS INCORPORATED 2015-11-26 — — US disclosed
US-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARAMCEUTICALS INCORPORATED 2015-11-26 — — US disclosed
US-9102672-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-11 — — US disclosed
US-8563573-B2 Azaindole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-22 — — US disclosed
CN-103159760-A Azaindole derivatives as cftr modulators VERTEX PHARMA 2013-06-19 — — CN disclosed
CN-101715450-B Azaindole derivatives as CFTR modulators VERTEX PHARMA 2013-03-13 — — CN disclosed
CN-101715450-A Azaindole derivatives as cftr modulators VERTEX PHARMA 2010-05-26 — — CN disclosed
EP-2118103-A2 AZAINDOLE DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2009-11-18 — — EP disclosed
US-20090253736-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-08 — — US disclosed
US-20090253736-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-08 — — US disclosed
US-20090253736-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-08 — — US disclosed
WO-2008127399-A2 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 — — WO disclosed
WO-2008127399-A2 AZAINDOLE DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 — — 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 (2 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-20150336956-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 CYP2C19 2781/4885CYP2D6 1972/4885GAA 797/4885
US-20090253736-A1 AZAINDOLE DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCC2 CYP2C19 2781/4885CYP2D6 1972/4885GAA 797/4885

“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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