SCHEMBL3170376

SCHEMBL3170376

CSc1nc(N)cc(N2CCOCC2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.46
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MAPK1 P28482 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PIK3CA P42336 2/20 0.42
MTOR P42345 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL10830610 0.84 HRH4 (0.53) KMT2ACRHBPCRHR2KDM4EMAPT
SCHEMBL10830350 0.83 HRH4 (0.66) KDM4EMAPTRXFP1HRH4HRH3
SCHEMBL13119696 0.83 KMT2A (0.70) KMT2ACRHBPCRHR2KDM4EMAPT
SCHEMBL1025786 0.81 KMT2A (1.00) KMT2ACRHBPCRHR2KDM4EMAPT
SCHEMBL10831377 0.81 MAPT (0.48) KMT2ACRHBPCRHR2KDM4EMAPT
SCHEMBL10650101 0.81 KMT2A (0.63) KMT2ACRHBPCRHR2KDM4EMAPT
SCHEMBL2814649 0.80 KMT2A (0.49) KMT2ACRHBPCRHR2KDM4EMAPT
Hydrochloric Acid SCHEMBL3281511 0.79 KDM4E (0.46) KMT2AKDM4EMAPTRXFP1CYP1A2
SCHEMBL1123929 0.79 KMT2A (0.65) KMT2ACRHBPCRHR2KDM4EMAPT
SCHEMBL794010 0.79 CRHBP (0.61) KMT2ACRHBPCRHR2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604601-B1 HETERO RING COMPOUND ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
EP-2604601-A1 HETERO RING COMPOUND Astellas Pharma Inc. (JP) 2013-06-19 EP disclosed
US-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 US disclosed
CN-103025725-A Heterocyclic compounds ASTELLAS PHARMA INC 2013-04-03 CN disclosed
US-20100009987-A1 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK MERCK SHARP & DOHME LIMITED (GB) 2010-01-14 US disclosed
US-20100009987-A1 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK MERCK SHARP & DOHME LIMITED (GB) 2010-01-14 US disclosed
US-20100009987-A1 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK MERCK SHARP & DOHME LIMITED (GB) 2010-01-14 US disclosed
EP-2032138-A2 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK Merck Sharp & Dohme Limited (GB) 2009-03-11 EP disclosed
WO-2007141571-A2 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK MERCK SHARP & DOHME LIMITED (GB) 2007-12-13 WO disclosed
WO-2007141571-A2 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK MERCK SHARP & DOHME LIMITED (GB) 2007-12-13 WO disclosed
EP-0582261-A1 Cephalosporin compounds and processes for the preparation thereof LUCKY LTD. (KR) 1994-02-09 EP disclosed
US-4565864-A INTERMEDIATES FOR BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1986-01-21 US disclosed
US-4503050-A BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1985-03-05 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 (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-20100009987-A1 AMINOTHIAZOLE DERIVATIVES AS INHIBITORS OF MARK MAPT, MARK4, MARK3 KMT2A 610/4885CRHBP 3034/4885CRHR2 4300/4885
US-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS KMT2A 1663/4885CRHBP 3992/4885CRHR2 770/4885

“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.