SCHEMBL22854

SCHEMBL22854

Cc1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
NCF1 P14598 1/20 0.52
GAK O14976 2/20 0.50
PARP1 P09874 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
KDR P35968 3/20 0.48
RIPK2 O43353 2/20 0.48
MAPK14 Q16539 1/20 0.48
GRM4 Q14833 1/20 0.46
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
GSK3A P49840 3/20 0.45
GSK3B P49841 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
AURKB Q96GD4 2/20 0.45
PRKD2 Q9BZL6 2/20 0.45
DYRK3 O43781 2/20 0.45

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
SCHEMBL30174440 1.00 ADRB2 (0.52) ADRB2NCF1GAKPARP1SMN1; SMN2
SCHEMBL422643 0.87 SMN1; SMN2 (0.59) ADRB2NCF1GAKSMN1; SMN2KDR
SCHEMBL2201230 0.81 ADRB2 (0.52) ADRB2NCF1GAKPARP1KDR
SCHEMBL18582354 0.81 ADRB2 (0.52) ADRB2NCF1GAKPARP1KDR
SCHEMBL31121093 0.81 ADRB2 (0.52) ADRB2NCF1GAKPARP1KDR
SCHEMBL2608416 0.81 ADRB2 (0.49) ADRB2NCF1GAKPARP1KDR
SCHEMBL2797692 0.81 GAK (0.64) ADRB2NCF1GAKPARP1KDR
SCHEMBL8367913 0.81 PARP1 (0.50) ADRB2NCF1GAKPARP1KDR
SCHEMBL11769140 0.80 ADRB2 (0.51) ADRB2NCF1GAKPARP1KDR
SCHEMBL1980284 0.80 NR4A2 (0.56) ADRB2NCF1GAKPARP1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 CN disclosed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 US disclosed
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY 2020-02-20 US disclosed
WO-2020012357-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2020-01-16 WO disclosed
US-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide ALPHABETA AB (SE) 2018-07-17 US disclosed
US-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide ALPHABETA AB (SE) 2018-07-17 US disclosed
US-9926326-B2 Substituted thioxanthenone autophagy inhibitors THE CLEVELAND CLINIC FOUNDATION (US) 2018-03-27 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
WO-2009145357-A1 IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-03 WO disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
CN-1951939-A Novel pyrrole derivatives as pharmaceutical agents LILLY CO ELI (US) 2007-04-25 CN disclosed
CN-1269820-C Novel pyrrole derivatives as medicaments LILLY CO ELI (US) 2006-08-16 CN disclosed
CN-1511157-A Novel pyrrole derivatives as medicaments 2004-07-07 CN 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-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide APP, BACE1, PSEN1 ADRB2 1639/4885NCF1 1888/4885GAK 3055/4885
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS BMP1, BMP4, BMPR2 ADRB2 4387/4885NCF1 3030/4885GAK 789/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 ADRB2 4367/4885NCF1 2465/4885GAK 3335/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 ADRB2 4367/4885NCF1 2465/4885GAK 3335/4885
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK ADRB2 522/4885NCF1 2192/4885GAK 773/4885

“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.