SCHEMBL844094

SCHEMBL844094

O=C(O)c1cc2ccncc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.73
DAPK3 O43293 3/20 0.73
PIM1 P11309 3/20 0.73
GSK3A P49840 3/20 0.73
GSK3B P49841 3/20 0.73
DYRK1A Q13627 3/20 0.73
AURKB Q96GD4 3/20 0.73
PRKACA P17612 2/20 0.73
RPS6KA3 P51812 2/20 0.73
KDR P35968 2/20 0.73
CDK8 P49336 2/20 0.73
CHEK1 O14757 1/20 0.73
PRKD3 O94806 1/20 0.73
MAP4K4 O95819 1/20 0.73
PAK4 O96013 1/20 0.73
ABL1 P00519 1/20 0.73
RET P07949 1/20 0.73
FGFR1 P11362 1/20 0.73
FLT1 P17948 1/20 0.73
LTK P29376 1/20 0.73

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
SCHEMBL30514630 1.00 AURKA (0.73) AURKADAPK3PIM1GSK3AGSK3B
SCHEMBL844056 0.86 BCL2L1 (0.58) AURKADAPK3PIM1GSK3AGSK3B
SCHEMBL30568740 0.84 CHEK1 (0.71) AURKADAPK3PIM1GSK3AGSK3B
SCHEMBL9230695 0.84 PIM1 (1.00) AURKADAPK3PIM1GSK3AGSK3B
SCHEMBL13977223 0.84 DYRK1A (0.71) AURKADAPK3PIM1GSK3AGSK3B
SCHEMBL29944203 0.84 PIM1 (1.00) AURKADAPK3PIM1GSK3AGSK3B
SCHEMBL5951059 0.84 CHEK1 (0.71) AURKADAPK3PIM1GSK3AGSK3B
SCHEMBL162420 0.83 CDK8 (0.65) AURKADAPK3PIM1GSK3AGSK3B
SCHEMBL30980399 0.83 CDK8 (0.65) AURKADAPK3PIM1GSK3AGSK3B
SCHEMBL30298119 0.80 CHEK1 (0.65) AURKADAPK3PIM1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2820017-B1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH INC (US) 2016-12-21 EP claimed
CN-103384668-A Novel compounds and compositions for inhibiting NAMPT FORMA THERAPEUTICS INC 2013-11-06 CN claimed
WO-2024032715-A1 HYDRAZIDE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳微芯生物科技股份有限公司 2024-02-15 WO disclosed
US-11485745-B2 Amido spirocyclic amide and sulfonamide derivatives VALO HEALTH, INC. (US) 2022-11-01 US disclosed
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO HEALTH, INC. 2021-06-10 US disclosed
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO HEALTH, INC. 2021-06-10 US disclosed
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2021-05-27 US disclosed
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives FORMA TM, LLC (US) 2020-08-04 US disclosed
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives FORMA TM, LLC (US) 2020-08-04 US disclosed
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 US disclosed
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 US disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO disclosed
EP-0000301-B1 PROCESS FOR THE PREPARATION OF THIENO(2,3-C) AND THIENO(3,2-C) PYRIDINES OMNIUM FINANCIER AQUITAINE POUR L'HYGIENE ET LA SANTE - SANOFI (FR) 1980-09-17 EP disclosed
EP-0003920-A1 Thieno (3,2-c)- and thieno (2,3-c)pyridines, process for their preparation and their therapeutical application OMNIUM FINANCIER AQUITAINE POUR L'HYGIENE ET LA SANTE - SANOFI (FR) 1979-09-05 EP disclosed
EP-0000301-A1 Process for the preparation of thieno(2,3-c) and thieno(3,2-c) pyridines OMNIUM FINANCIER AQUITAINE POUR L'HYGIENE ET LA SANTE - SANOFI (FR) 1979-01-10 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 (7 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-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 AURKA 2198/4885DAPK3 2411/4885PIM1 4059/4885
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 AURKA 892/4885DAPK3 2842/4885PIM1 2321/4885
US-11485745-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 AURKA 892/4885DAPK3 2842/4885PIM1 2321/4885
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 AURKA 3182/4885DAPK3 1988/4885PIM1 1246/4885
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 AURKA 2952/4885DAPK3 3803/4885PIM1 4386/4885
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates STS, SQOR, SULT1E1 AURKA 3073/4885DAPK3 1167/4885PIM1 386/4885
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 AURKA 892/4885DAPK3 2842/4885PIM1 2321/4885

“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.