SCHEMBL5493842

SCHEMBL5493842

COCC(=O)Nc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ CFTR P13569 1/20 0.54
▸ HTT P42858 2/20 0.53
▸ TSHR P16473 1/20 0.46
▸ AAK1 Q2M2I8 1/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HDAC3 O15379 1/20 0.43

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
SCHEMBL2235637 0.79 CYP1A2 (0.55) CFTRKMT2AALDH1A1MEN1NPSR1
SCHEMBL5490290 0.79 MEN1 (0.58) SMN1; SMN2HTTKMT2AALDH1A1MEN1
SCHEMBL5502180 0.78 ALDH1A1 (0.50) CFTRTSHRKMT2AALDH1A1MEN1
SCHEMBL16060789 0.77 KDM4E (0.57) CFTRTSHRKMT2AALDH1A1MEN1
SCHEMBL24095596 0.77 SMN1; SMN2 (0.55) SMN1; SMN2HTTKMT2AALDH1A1MEN1
SCHEMBL38664575 0.77 AURKB (0.47) CFTRHTTAAK1KMT2AALDH1A1
SCHEMBL14568587 0.77 CFTR (0.51) CFTRKMT2AALDH1A1MEN1NPSR1
SCHEMBL2088526 0.76 SMN1; SMN2 (0.68) SMN1; SMN2HTTKMT2AALDH1A1MEN1
SCHEMBL29430810 0.76 RXFP1 (0.53) CFTRHTTTSHRAAK1KMT2A
SCHEMBL272400 0.76 RXFP1 (0.53) CFTRHTTTSHRAAK1KMT2A

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
CN-103508961-B Antitumor drug CROWN BIOSCIENCE TAICANG CO LTD 2015-07-22 — — CN disclosed
CN-103508961-A Antitumor drug CROWN BIOSCIENCE TAICANG CO LTD 2014-01-15 — — CN disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 — — EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 — — EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 — — EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 — — 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 SMN1; SMN2 4067/4885CFTR 2732/4885HTT 3487/4885

“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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