SCHEMBL5248907

SCHEMBL5248907

c1ccc(-c2cn[nH]c2-c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 4/20 0.81
AKT1 P31749 2/20 0.81
AURKA O14965 1/20 0.81
CDK1 P06493 1/20 0.81
LYN P07948 1/20 0.81
PIM1 P11309 1/20 0.81
FGFR1 P11362 1/20 0.81
PRKACA P17612 1/20 0.81
RPS6KB1 P23443 1/20 0.81
CDK2 P24941 1/20 0.81
MARK3 P27448 1/20 0.81
GSK3B P49841 1/20 0.81
PRKCZ Q05513 1/20 0.81
PRKCD Q05655 1/20 0.81
ERBB4 Q15303 1/20 0.81
CDC42BPA Q5VT25 1/20 0.81
MARK2 Q7KZI7 1/20 0.81
AKT3 Q9Y243 1/20 0.81
TGFBR1 P36897 4/20 0.65
AKT2 P31751 1/20 0.61

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
Bromide SCHEMBL11756541 0.98 RPS6KA3 (0.79) RPS6KA3AKT1AURKACDK1LYN
SCHEMBL6076343 0.90 RPS6KA3 (1.00) RPS6KA3AKT1AURKACDK1LYN
SCHEMBL6073381 0.90 RPS6KA3 (1.00) RPS6KA3AKT1AURKACDK1LYN
SCHEMBL6132062 0.89 RPS6KA3 (0.70) RPS6KA3AKT1AURKACDK1LYN
Propionic Acid SCHEMBL10557736 0.84 RPS6KA3 (0.64) RPS6KA3AKT1AURKACDK1LYN
SCHEMBL6132035 0.82 TGFBR1 (0.61) RPS6KA3AKT1AURKACDK1LYN
SCHEMBL14577335 0.80 MAPK1 (0.61) RPS6KA3AKT1AURKACDK1LYN
SCHEMBL30204300 0.77 MEN1 (0.73) RPS6KA3LMNAKMT2AKDM4EALDH1A1
SCHEMBL27540520 0.77 RPS6KA3 (0.57) RPS6KA3AKT1AURKACDK1LYN
SCHEMBL22671965 0.77 MEN1 (0.73) RPS6KA3LMNAKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 US disclosed
EP-1542680-B1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES AS TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC (US) 2007-03-07 EP disclosed
EP-0417449-B1 Arylpyrazole derivatives as platelet aggregation inhibitors BRISTOL MYERS SQUIBB CO (US) 1995-02-15 EP disclosed
US-5071866-A Arylpyrazole derivatives as anti-platelet agents BRISTOL-MYERS SQUIBB COMPANY (US) 1991-12-10 US disclosed
EP-0417449-A1 Arylpyrazole derivatives as platelet aggregation inhibitors Bristol-Myers Squibb Company (US) 1991-03-20 EP disclosed
US-4994482-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1991-02-19 US disclosed
EP-0299407-B1 1H-PYRAZOLE-1-ALKANAMIDES AND PREPARATION USEFUL AS ANTIARRHYTHMIC AGENTS STERLING DRUG INC. (US) 1990-10-24 EP disclosed
EP-0388690-A1 Azole-1-alkanamides as antiarrhytmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4870095-A 1H-pyrazole-1-alkanamides, antiarrhythmic compositions and use STERLING DRUG, INC. (US) 1989-09-26 US disclosed
EP-0299407-A1 1H-pyrazole-1-alkanamides and preparation useful as antiarrhythmic agents STERLING DRUG INC. (US) 1989-01-18 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 (3 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-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE HRH3, HELZ, NBAS RPS6KA3 3170/4885AKT1 776/4885AURKA 2167/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 RPS6KA3 3329/4885AKT1 1375/4885AURKA 2986/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 RPS6KA3 3549/4885AKT1 3686/4885AURKA 225/4885

“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.