SCHEMBL989261

SCHEMBL989261

c1ccc(-c2cn3c(n2)CCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 13/20 1.00
ALDH1A1 P00352 3/20 1.00
NPC1 O15118 5/20 0.90
RAB9A P51151 5/20 0.90
LMNA P02545 4/20 0.90
HTT P42858 2/20 0.90
KDM4E B2RXH2 1/20 0.90
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 2/20 0.61
RXFP1 Q9HBX9 1/20 0.61
TP53 P04637 2/20 0.51
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL4839937 0.95 WDR5 (0.90) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL9700032 0.84 WDR5 (0.73) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL4839735 0.83 WDR5 (0.71) WDR5ALDH1A1NPC1RAB9ALMNA
Bromide SCHEMBL9839171 0.83 WDR5 (0.71) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL7380842 0.80 WDR5 (0.65) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL9293256 0.79 WDR5 (0.66) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL18329398 0.79 WDR5 (0.65) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL9199162 0.79 WDR5 (1.00) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL9698908 0.78 LMNA (0.70) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL5308466 0.78 ALDH1A1 (0.70) WDR5ALDH1A1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
US-9290517-B2 Azabenzimidazole hexahydrofuro[3,2-b]furan derivatives MERCK SHARP & DOHME CORP. (US) 2016-03-22 US disclosed
US-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-10-08 US disclosed
EP-2888005-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES Merck Sharp & Dohme Corp. (US) 2015-07-01 EP disclosed
CN-104718004-A Novel azabenzimidazole hexahydrofuro[3,2-b]furan derivatives MERCK SHARP & DOHME 2015-06-17 CN disclosed
WO-2014031515-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2014-02-27 WO disclosed
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-20080009506-A1 Imidazole Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 US disclosed
US-20080009506-A1 Imidazole Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
EP-1654247-A1 ALKYNYL ARYL CARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2005012280-A1 ALKYNYL ARYL CARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-02-10 WO disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 WDR5 3027/4885ALDH1A1 795/4885NPC1 2316/4885
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 WDR5 1593/4885ALDH1A1 1864/4885NPC1 4504/4885
US-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES PRKAG2, PRKAB2, PRKAG1 WDR5 316/4885ALDH1A1 1088/4885NPC1 2085/4885
US-20080009506-A1 Imidazole Compound KCNH2, KCNJ2, KCNH3 WDR5 2632/4885ALDH1A1 2945/4885NPC1 3474/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 WDR5 2228/4885ALDH1A1 3631/4885NPC1 2472/4885

“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.