SCHEMBL1134095

SCHEMBL1134095

O=Cc1cnc(N2CCCCC2)nc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
ALDH1A3 P47895 5/20 0.46
POLB P06746 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL1133951 0.98 TRIM24 (0.48) ALDH1A1SMN1; SMN2KDM4ETRIM24TRIM33
SCHEMBL25308181 0.94 TRIM24 (0.44) ALDH1A1SMN1; SMN2KDM4ETRIM24TRIM33
SCHEMBL1133918 0.81 POLB (0.57) ALDH1A1KDM4EALDH1A3POLBHDAC6
SCHEMBL16755649 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHDAC6MAPTTSHR
SCHEMBL16654217 0.81 TAAR1 (0.57) ALDH1A1SMN1; SMN2KDM4EHDAC6TSHR
Hydrochloric Acid SCHEMBL28861662 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EHDAC6TSHR
SCHEMBL25197619 0.78 AOC3 (0.42) KDM4EPOLBHDAC6
SCHEMBL15166116 0.78 KDM4E (0.37) ALDH1A1SMN1; SMN2KDM4ETRIM24TRIM33
SCHEMBL17832213 0.77 OGA (0.43) HDAC6
SCHEMBL29631848 0.77 POLB (0.41) ALDH1A1KDM4EPOLBHDAC6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102884062-B Aminopyrimidine inhibitors of kinases 嘉世高制药公司 2016-08-03 CN disclosed
US-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
EP-2516425-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2015-09-02 EP disclosed
US-20140080799-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2014-03-20 US disclosed
CN-102066360-B Quinoline-or isoquinoline-substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV 2013-10-30 CN disclosed
US-8563539-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2013-10-22 US disclosed
US-8431704-B2 Quinoline or isoquinoline substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-04-30 US disclosed
CN-102884062-A Aminopyrimidine kinase inhibitors JASCO PHARMACEUTICALS LLC 2013-01-16 CN disclosed
EP-2516425-A1 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals LLC (US) 2012-10-31 EP disclosed
EP-2285800-B1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-11-16 EP disclosed
EP-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 EP disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-1993006118-A1 ANTIBACTERIAL, ANTIMYCOPLASMAL COMPOUNDS RELATED TO MUPIROCIN SMITHKLINE BEECHAM PLC (GB) 1993-04-01 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 (1 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-20140080799-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 ALDH1A1 3604/4885SMN1; SMN2 3555/4885KDM4E 1221/4885

“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.