SCHEMBL1093196

SCHEMBL1093196

COc1c[nH]c2ncncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.42
KIT P10721 7/20 0.40
DYRK1A Q13627 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CCNA1 P78396 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MAP3K11 Q16584 2/20 0.40
NTRK1 P04629 3/20 0.39
PIK3CA P42336 2/20 0.39
SLC2A1 P11166 1/20 0.39
BRD4 O60885 2/20 0.38
LRRK2 Q5S007 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1773002 0.75 KIT (0.49) KITDYRK1AMAP3K11NTRK1PIK3CA
SCHEMBL30538077 0.75 RPS6KA5 (0.47) RPS6KA5KITDYRK1ACCNT1CCNA2
SCHEMBL2619224 0.75 RPS6KA5 (0.45) RPS6KA5NTRK1CYP1A2CYP3A4
SCHEMBL29598321 0.75 RPS6KA5 (0.45) RPS6KA5NTRK1CYP1A2CYP3A4
SCHEMBL24565966 0.73 KIT (0.48) KITDYRK1AMAP3K11CYP3A4AAK1
SCHEMBL21713015 0.73 MAP2K1 (0.59) ALDH1A1
SCHEMBL1093381 0.72 RPS6KA5 (0.43) RPS6KA5NTRK1CYP1A2CYP3A4AAK1
SCHEMBL13627414 0.71 HASPIN (0.46) RPS6KA5DYRK1ACDK9CDK5NTRK1
SCHEMBL25303525 0.71 DYRK1A (0.50) KITDYRK1ACDK2CDK5MAP3K11
SCHEMBL23571474 0.71 RPS6KA5 (0.45) RPS6KA5CCNT1CDK2CDK9NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
CN-103534257-A Pyrrolo [2, 3 -d] pyrimidine derivatives as inhibitors of tropomyosin- related kinases PFIZER 2014-01-22 CN disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
US-8153641-B2 Pyrrolo(2,3-d)pyrimidine kinase inhibitors; melanoma, colorectal cancer, pain, polycystic kidney disease and other Raf protein kinase related conditions; e.g. Propane-1-sulfonic acid[3-(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluoro-phenyl]-amide; Raf kinases including B-raf, A-raf PLEXXIKON INC. (US) 2012-04-10 US disclosed
US-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US 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 (4 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-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG RPS6KA5 276/4885KIT 31/4885DYRK1A 1535/4885
US-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, PRKACA, RAF1 RPS6KA5 432/4885KIT 1498/4885DYRK1A 267/4885
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG RPS6KA5 276/4885KIT 31/4885DYRK1A 1535/4885
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG RPS6KA5 276/4885KIT 31/4885DYRK1A 1535/4885

“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.