SCHEMBL5755331

SCHEMBL5755331

COc1ccc(CN2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 1.00
TSHR P16473 1/20 0.67
SIGMAR1 Q99720 1/20 0.67
HIF1A Q16665 1/20 0.67
EPAS1 Q99814 1/20 0.67
HRH3 Q9Y5N1 2/20 0.65
KDM4E B2RXH2 1/20 0.64
CYP2D6 P10635 1/20 0.61
PTGIR P43119 1/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 2/20 0.58
KMT2A Q03164 1/20 0.58
DRD4 P21917 1/20 0.57
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56

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
SCHEMBL28455980 0.95 SMN1; SMN2 (0.90) SMN1; SMN2TSHRSIGMAR1HIF1AEPAS1
SCHEMBL28577542 0.92 SMN1; SMN2 (0.85) SMN1; SMN2TSHRSIGMAR1HIF1AEPAS1
SCHEMBL28583600 0.88 SMN1; SMN2 (0.77) SMN1; SMN2TSHRSIGMAR1HIF1AEPAS1
SCHEMBL26098259 0.87 SMN1; SMN2 (0.76) SMN1; SMN2TSHRSIGMAR1HIF1AEPAS1
SCHEMBL19285228 0.87 SIGMAR1 (0.85) SMN1; SMN2SIGMAR1PTGIRALDH1A1
SCHEMBL1043952 0.87 SIGMAR1 (0.85) SMN1; SMN2SIGMAR1PTGIRALDH1A1
SCHEMBL20804352 0.87 SIGMAR1 (0.85) SMN1; SMN2SIGMAR1PTGIRALDH1A1
SCHEMBL15467001 0.84 HRH3 (0.87) SMN1; SMN2HIF1AEPAS1HRH3MAPT
SCHEMBL5591894 0.84 SMN1; SMN2 (0.70) SMN1; SMN2TSHRSIGMAR1HIF1AEPAS1
SCHEMBL3171551 0.83 PTGIR (0.81) SMN1; SMN2TSHRSIGMAR1HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO claimed
CN-109415345-A Broad spectrum influenza inhibitor based on pyridazinone 豪夫迈·罗氏有限公司 2019-03-01 CN disclosed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP disclosed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US disclosed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US disclosed
CN-105367576-A Pyrrolopyrimidine compounds as TLR7 agonists CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD 2016-03-02 CN disclosed
US-20150301461-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS AND PHTHALOCYANINE CRYSTAL CANON KABUSHIKI KAISHA (JP) 2015-10-22 US disclosed
US-20150301461-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS AND PHTHALOCYANINE CRYSTAL CANON KABUSHIKI KAISHA (JP) 2015-10-22 US disclosed
CN-101765585-A Antibacterial agent ACHAOGEN INC 2010-06-30 CN disclosed
EP-0915856-A4 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP disclosed
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
CN-1226803-A Diphenyl heterocycles as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 1999-08-25 CN disclosed
EP-0915856-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-05-19 EP disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed
WO-1998004135-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 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-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K SMN1; SMN2 494/4885TSHR 2352/4885SIGMAR1 4288/4885

“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.