SCHEMBL8777742

SCHEMBL8777742

Cc1cc(N)c(Cl)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.46
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 3/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
AR P10275 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
KHK P50053 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KDM1A O60341 5/20 0.34
DYRK1A Q13627 1/20 0.34
CSNK1A1 P48729 1/20 0.33
CLK4 Q9HAZ1 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
SCHEMBL20045543 0.92 GAA (0.44) CD44GAANPC1ALDH1A1CYP3A4
SCHEMBL406316 0.83 CD44 (0.58) CD44GAAALDH1A1CYP3A4TSHR
SCHEMBL1796492 0.82 CD44 (0.42) CD44GAAALDH1A1CYP3A4TSHR
SCHEMBL6402873 0.82 GAA (0.52) GAANPC1ALDH1A1CYP3A4TSHR
SCHEMBL6948318 0.82 TSHR (0.41) ALDH1A1TSHRMAPK1ARTRPV4
SCHEMBL19931598 0.80 CD44 (0.41) CD44ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7024058 0.80 TSHR (0.52) CD44NPC1ALDH1A1CYP3A4TSHR
SCHEMBL30498666 0.80 GAA (0.57) CD44GAANPC1ALDH1A1CYP3A4
SCHEMBL7073779 0.80 GAA (0.57) CD44GAANPC1ALDH1A1CYP3A4
SCHEMBL31314338 0.76 GAA (0.50) GAANPC1ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
EP-2807152-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-07-19 EP disclosed
EP-2785709-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-05-10 EP disclosed
EP-2785709-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-05-10 EP disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
EP-3121173-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
EP-3121173-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
US-9145402-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2015-09-29 US disclosed
EP-0518909-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE. HOECHST AG (DE) 1992-12-23 EP disclosed
EP-0316649-B1 WATER INSOLUBLE AZO COLOURING AGENTS, THEIR PREPARATION AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-22 EP disclosed
WO-1991013941-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-19 WO disclosed
US-5026831-A Water-insoluble disazo colorants having hetero-bicyclic methylene-active compounds as coupling component HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed
EP-0316649-A2 Water insoluble azo colouring agents, their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-24 EP disclosed
US-4224025-A Process for the dyeing and printing of paper materials in different hues using a single coupling component CIBA-GEIGY CORPORATION (US) 1980-09-23 US disclosed
US-4168952-A ACETOACETIC ACID ARYLAMIDE AS COUPLER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-09-25 US disclosed
US-4165967-A HYDROXY-PYRIDINE OR PYRIDONE COUPLERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-08-28 US disclosed
US-4162893-A Process for dyeing human hair with diazo salts HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-07-31 US disclosed
US-4065254-A DIAZO DYES, LEATHER, COTTON, WOOL CIBA-GEIGY CORPORATION (US) 1977-12-27 US 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 (3 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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CD44 3059/4885GAA 742/4885NPC1 4398/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CD44 2921/4885GAA 698/4885NPC1 4434/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CD44 2921/4885GAA 698/4885NPC1 4434/4885

“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.