SCHEMBL4839735

SCHEMBL4839735

Fc1ccc(-c2cn3c(n2)CCC3)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 12/20 0.71
LMNA P02545 4/20 0.71
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
HTT P42858 2/20 0.71
ALDH1A1 P00352 3/20 0.71
KDM4E B2RXH2 1/20 0.69
KMT2A Q03164 2/20 0.64
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MAPT P10636 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
HRH3 Q9Y5N1 1/20 0.50
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TGFBR1 P36897 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
SCHEMBL9698908 0.95 LMNA (0.70) WDR5LMNANPC1RAB9AHTT
SCHEMBL989261 0.83 WDR5 (1.00) WDR5LMNANPC1RAB9AHTT
SCHEMBL9700032 0.81 WDR5 (0.73) WDR5LMNANPC1RAB9AHTT
SCHEMBL18329393 0.80 WDR5 (0.48) WDR5LMNANPC1RAB9AHTT
SCHEMBL20082382 0.80 ALDH1A1 (0.49) WDR5LMNANPC1RAB9AHTT
Bromide SCHEMBL9839171 0.80 WDR5 (0.71) WDR5LMNANPC1RAB9AHTT
SCHEMBL9293256 0.80 WDR5 (0.66) WDR5LMNANPC1RAB9AHTT
SCHEMBL9199162 0.80 WDR5 (1.00) WDR5LMNANPC1RAB9AHTT
SCHEMBL5778043 0.79 LMNA (0.70) WDR5LMNANPC1RAB9AHTT
SCHEMBL5308466 0.79 ALDH1A1 (0.70) WDR5LMNANPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105073751-B The substituted imidazoles new as Casein kinase 1 δ/epsilon inhibitor 百时美施贵宝公司 2018-11-30 CN disclosed
EP-2935271-B1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-25 EP disclosed
EP-2935271-B1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-25 EP disclosed
US-9556179-B2 Substituted imidazoles as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-9556179-B2 Substituted imidazoles as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-9556179-B2 Substituted imidazoles as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-03 US disclosed
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-03 US disclosed
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-03 US disclosed
CN-105073751-A Novel substituted imidazoles as casein kinase 1 [delta]/[epsilon] inhibitors BRISTOL MYERS SQUIBB CO 2015-11-18 CN disclosed
EP-0231622-B1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
US-5145858-A Antiinflammatory SMITHKLINE BEECHAM CORP. (US) 1992-09-08 US disclosed
US-5002941-A Antiarthritic agents, arachidonic acid metabolism SMITHKLINE BEECHAM CORPORATION (US) 1991-03-26 US disclosed
WO-1990003789-A1 PYRROLO[1,2-a]IMIDAZOLE AND IMIDAZO[1,2-a]PYRIDINE DERIVATIVES AND THEIR USE AS 5-LYPOXYGENASE PATHWAY INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-04-19 WO disclosed
EP-0364204-A1 Pyrrolo[1,2-a]imidazole and imidazo[1,2-a]pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-04-18 EP disclosed
CN-1032011-A Pyrrolo-imidazoles and imidazopyridine and application thereof SMITHKLINE BECKMAN CORP (US) 1989-03-29 CN disclosed
EP-0306300-A2 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-08 EP disclosed
US-4751310-A Inhibition of the 5-lipoxygenase pathway SMITHKLINE BECKMAN CORPORATION (US) 1988-06-14 US disclosed
US-4719218-A ENZYME INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-01-12 US disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP 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-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 WDR5 1851/4885LMNA 3866/4885NPC1 1925/4885

“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.