Sugi Predict

Sugi Predict / Compounds / SCHEMBL2177069

SCHEMBL2177069

SCHEMBL2177069

Fc1c(F)c(F)c(Oc2ccnc3ccccc23)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ BRAF P15056 2/20 0.40
▸ KDR P35968 2/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ TNNI3K Q59H18 1/20 0.39
▸ AR P10275 4/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ GAK O14976 1/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ COQ8A Q8NI60 1/20 0.38
▸ NLK Q9UBE8 1/20 0.38
▸ ERBB2 P04626 1/20 0.38

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
SCHEMBL9431770 0.83 NCF1 (0.54) NCF1KDM4EMAPTLOXL2BRAF
SCHEMBL30465596 0.80 NCF1 (0.45) NCF1LOXL2BRAFKDRMAPK14
SCHEMBL27303568 0.78 KDR (0.49) NCF1KDM4EMAPTBRAFKDR
SCHEMBL7462264 0.78 LMNA (0.50) MAPTGAK
SCHEMBL1897179 0.77 ERBB2 (0.55) NCF1KDM4EMAPTLOXL2BRAF
SCHEMBL28010963 0.77 LOXL2 (0.48) NCF1KDM4EMAPTLOXL2HTR1A
SCHEMBL828159 0.74 GAK (0.55) NCF1LOXL2BRAFGAKRIPK2
SCHEMBL23069169 0.72 NCF1 (0.43) NCF1KDM4EMAPTLOXL2BRAF
SCHEMBL1098713 0.72 EGFR (0.55) BRAFKDRMAPK14TNNI3K
SCHEMBL1591720 0.72 NCF1 (0.56) NCF1KDM4EMAPTCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 — — US disclosed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 — — US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 — — US disclosed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 — — US disclosed
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2009-02-12 — — US disclosed
US-20090036485-A1 Quinoline derivatives JUNG FREDERIC HENRI 2009-02-05 — — US disclosed
EP-1994024-A2 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 — — EP disclosed
EP-1994028-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2008-11-26 — — EP disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 — — EP disclosed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 — — US disclosed
WO-2004041811-A1 3-CYANO-QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-21 — — WO disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 — — EP disclosed
WO-2004005284-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS ASTRAZENECA AB (SE) 2004-01-15 — — WO disclosed
WO-2003053960-A2 QUINLINE DERIVATES AND THEIR USE AS MEK INHIBITORS ASTRAZENECA AB (SE) 2003-07-03 — — WO disclosed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 — — WO disclosed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 — — WO disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 — — WO disclosed
WO-2003047583-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 — — WO disclosed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 — — WO disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 — — 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 (5 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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 NCF1 417/4885KDM4E 660/4885MAPT 4555/4885
US-20090076075-A1 QUINOLINE DERIVATIVES RECQL, NQO2, NRAS NCF1 1801/4885KDM4E 2898/4885MAPT 2809/4885
US-20090036485-A1 Quinoline derivatives AQP3, PGF, AQP1 NCF1 3154/4885KDM4E 2931/4885MAPT 2316/4885
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER RECQL, NQO2, NRAS NCF1 1796/4885KDM4E 1716/4885MAPT 3807/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 NCF1 1793/4885KDM4E 2492/4885MAPT 2696/4885

“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.