SCHEMBL6142168

SCHEMBL6142168

Cc1c(N)ccc2c1ncn2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CDK1 P06493 1/20 0.36
DYRK1A Q13627 1/20 0.36
AKT1 P31749 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
PIK3CA P42336 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RPS6KA3 P51812 1/20 0.33

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
SCHEMBL30136929 0.79 DPP4 (0.42) DPP4TSHRALDH1A1KDM4EGLA
SCHEMBL7089917 0.79 DPP4 (0.42) DPP4TSHRALDH1A1KDM4EGLA
SCHEMBL2092773 0.78 ALDH1A1 (0.41) DPP4TSHRALDH1A1KDM4EGLA
SCHEMBL13137274 0.77 PRPS1 (0.44) DPP4TSHRALDH1A1KDM4EGLA
SCHEMBL29518340 0.77 DPP4 (0.40) DPP4TSHRALDH1A1KDM4EGLA
SCHEMBL22704842 0.77 DPP4 (0.40) DPP4TSHRALDH1A1KDM4EGLA
SCHEMBL22025920 0.75 DPP4 (0.39) DPP4TSHRALDH1A1KDM4EGLA
SCHEMBL358722 0.74 DPP4 (0.44) DPP4TSHRALDH1A1KDM4EGLA
Hydrochloric Acid SCHEMBL6118670 0.73 DPP4 (0.43) DPP4TSHRALDH1A1KDM4EGLA
Hydrochloric Acid SCHEMBL15093741 0.73 DPP4 (0.43) DPP4TSHRALDH1A1KDM4EGLA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656769-A1 ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-05-27 EP disclosed
EP-0944604-B1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2005-01-12 EP disclosed
US-20020128481-A1 Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists CUPPS THOMAS LEE (US) 2002-09-12 US disclosed
US-6391878-B2 COMPOUNDS SUCH AS (4,7-DIMETHYLBENZIMIDAZOL-5-YL)GUANIDINE; TREATING NASAL CONGESTION, OTITIS MEDIA, ASTHMA, PAIN, MIGRAINE, GASTROINTESTINAL DISORDER, ULCER THE PROCTER & GAMBLE COMPANY 2002-05-21 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
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 DPP4 896/4885TSHR 1765/4885ALDH1A1 1083/4885
US-20020128481-A1 Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists ADRB2, ADRA2C, ADRA2A DPP4 1773/4885TSHR 673/4885ALDH1A1 722/4885

“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.