SCHEMBL243249

SCHEMBL243249

NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.60
AKT1 P31749 2/20 0.60
AKT2 P31751 2/20 0.60
AKT3 Q9Y243 2/20 0.60
ROCK2 O75116 1/20 0.60
RPS6KA5 O75582 1/20 0.60
RPS6KA4 O75676 1/20 0.60
LATS1 O95835 1/20 0.60
PRKACB P22694 1/20 0.60
RPS6KB1 P23443 1/20 0.60
GRK2 P25098 1/20 0.60
RPS6KA3 P51812 1/20 0.60
PRKCD Q05655 1/20 0.60
ROCK1 Q13464 1/20 0.60
RPS6KA2 Q15349 1/20 0.60
RPS6KA1 Q15418 1/20 0.60
PKN1 Q16512 1/20 0.60
PKN2 Q16513 1/20 0.60
SGK3 Q96BR1 1/20 0.60
RPS6KB2 Q9UBS0 1/20 0.60

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
SCHEMBL851562 0.90 PRKACA (0.53) PRKACAAKT1AKT2AKT3ROCK2
SCHEMBL851652 0.90 PRKACA (0.53) PRKACAAKT1AKT2AKT3ROCK2
SCHEMBL851350 0.90 PRKACA (0.53) PRKACAAKT1AKT2AKT3ROCK2
SCHEMBL30674344 0.81 PRKACA (0.52) PRKACAAKT1AKT2AKT3ROCK2
SCHEMBL24697541 0.79 PRKACA (0.44) PRKACAAKT1AKT2AKT3ROCK2
SCHEMBL9196329 0.78 NPSR1 (0.53) PRKACAAKT1AKT2AKT3ROCK2
SCHEMBL3884434 0.78 NPSR1 (0.53) PRKACAAKT1AKT2AKT3ROCK2
At-13148 SCHEMBL851075 0.78 AKT1 (1.00) PRKACAAKT1AKT2AKT3ROCK2
At-13148 SCHEMBL851471 0.78 AKT1 (1.00) PRKACAAKT1AKT2AKT3ROCK2
At-13148 SCHEMBL850592 0.78 AKT1 (1.00) PRKACAAKT1AKT2AKT3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2019-07-04 US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-8691806-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2014-04-08 US disclosed
US-8691806-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2014-04-08 US disclosed
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-05-27 US disclosed
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-05-27 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
WO-2010007800-A1 NOVEL URACIL COMPOUND HAVING AMIDE STRUCTURE AND SALT THEREOF 大鵬薬品工業株式会社 (JP) 2010-01-21 WO disclosed
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 US disclosed
EP-1933832-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2008-06-25 EP disclosed
EP-1902032-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2008-03-26 EP disclosed
WO-2006136821-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136837-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 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 (6 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-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 PRKACA 2438/4885AKT1 3784/4885AKT2 3677/4885
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX PRKACA 1845/4885AKT1 2999/4885AKT2 3282/4885
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 PRKACA 140/4885AKT1 91/4885AKT2 114/4885
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION HMOX1, HMOX2, PPOX PRKACA 4273/4885AKT1 4368/4885AKT2 4371/4885
US-20100130464-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, GRK2 PRKACA 609/4885AKT1 40/4885AKT2 37/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 PRKACA 140/4885AKT1 91/4885AKT2 114/4885

“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.