SCHEMBL4560164

SCHEMBL4560164

Cc1ccc(C)c2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.46
PDPK1 O15530 2/20 0.42
CSNK2A1 P68400 3/20 0.41
CSNK2A2 P19784 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CSNK2B P67870 1/20 0.41
DYRK1A Q13627 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
ABL1 P00519 1/20 0.37
RAD52 P43351 1/20 0.37
RIN1 Q13671 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ACP1 P24666 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL6876629 0.85 PARP1 (0.42) PARP1PDPK1CSNK2A1CSNK2A2RAB9A
SCHEMBL4612059 0.83 SLC6A2 (0.43) PARP1PDPK1CSNK2A1CSNK2A2RAB9A
SCHEMBL6447653 0.83 CSNK2A1 (0.41) PARP1PDPK1CSNK2A1CSNK2A2RAB9A
SCHEMBL6950307 0.83 PARP1 (0.41) PARP1PDPK1CSNK2A1CSNK2A2RAB9A
SCHEMBL4612063 0.83 PARP1 (0.41) PARP1ALDH1A1HTT
SCHEMBL13184288 0.83 CSNK2A1 (0.41) PARP1PDPK1CSNK2A1CSNK2A2RAB9A
SCHEMBL6950313 0.83 PARP1 (0.41) PARP1PDPK1CSNK2A1CSNK2A2RAB9A
SCHEMBL13156101 0.80 PDPK1 (0.40) PARP1PDPK1CSNK2A1CSNK2A2RAB9A
SCHEMBL14347716 0.78 ALDH1A1 (0.39) PARP1PDPK1CSNK2A1CSNK2A2RAB9A
SCHEMBL18948981 0.77 BRD4 (0.46) PARP1PDPK1HSD17B10HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240237380-A1 LIGHT-EMITTING SUBSTRATE AND MANUFACTURING METHOD THEREOF, AND LIGHT-EMITTING APPARATUS BOE TECHNOLOGY GROUP CO., LTD. (CN) 2024-07-11 US disclosed
US-20230128137-A1 BENZO FIVE-MEMBERED CYCLIC COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-04-27 US disclosed
US-20230128137-A1 BENZO FIVE-MEMBERED CYCLIC COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-04-27 US disclosed
US-9758688-B2 Composition for forming conductive film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-12 US disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-9536633-B2 Metallic composite and composition thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-03 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
EP-2218716-B1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-11-16 EP disclosed
US-20160322579-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-03 US disclosed
US-6225331-B1 FOR THERAPY AND PROPHYLAXIS NASAL CONGESTION, OTITIS MEDIA, AND SINUSITIS, TREATING COUGH, CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND/OR ASTHMA, BENIGN PROSTATIC HYPERTROPHY, CARDIOVASCULAR DISORDERS, GLAUCOMA, HYPEREMIA, CONJUNCTIVITIS THE PROCTER & GAMBLE COMPANY 2001-05-01 US disclosed
US-20010000345-A1 Compounds such as (4,7-dimethylbenzimidazol-5-yl)guanidine; treating nasal congestion, otitis media, asthma, pain, migraine, gastrointestinal disorder, ulcer THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2001-04-19 US disclosed
EP-0944604-A1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023596-A1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed
US-5691370-A 5-(2-imidazolinylamino)benzimidazole compounds useful as alpha-2-adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1997-11-25 US disclosed
CN-1137794-A 5-(2-imidazolinylamino) benzimidazole derivatives, their preparation and their use as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 1996-12-11 CN disclosed
EP-0736022-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 EP disclosed
US-5541210-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIHISTAMINES OR COUGH MEDICINE THE PROCTER & GAMBLE COMPANY (US) 1996-07-30 US disclosed
US-5478858-A Respiratory system disorders, gastrointestinal disorders THE PROCTER & GAMBLE COMPANY (US) 1995-12-26 US disclosed
WO-1995016685-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 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 (2 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-20010000345-A1 Compounds such as (4,7-dimethylbenzimidazol-5-yl)guanidine; treating nasal congestion, otitis media, asthma, pain, migraine, gastrointestinal disorder, ulcer ADRB2, ADRA2C, ADRA2B PARP1 3103/4885PDPK1 3528/4885CSNK2A1 3107/4885
US-20230128137-A1 BENZO FIVE-MEMBERED CYCLIC COMPOUND BCL2, BAX, BCL2L1 PARP1 1523/4885PDPK1 1711/4885CSNK2A1 444/4885

“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.