SCHEMBL1606183

SCHEMBL1606183

CC(C)(C)OC(=O)n1c(-c2cncc(Cl)c2)cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.59
NR1H3 Q13133 3/20 0.56
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL16196185 0.86 NR1H2 (0.59) NR1H2NR1H3CA12CA9
SCHEMBL2925866 0.86 NR1H2 (0.62) NR1H2NR1H3CA12CA9
SCHEMBL17220651 0.84 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL28578718 0.82 NR1H2 (0.69) NR1H2NR1H3CA12CA9
SCHEMBL27810052 0.82 AOC3 (0.45) NR1H2NR1H3
SCHEMBL14367891 0.81 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL14627506 0.81 NR1H2 (0.61) NR1H2NR1H3CA12CA9
SCHEMBL17220664 0.80 NR1H2 (0.66) NR1H2NR1H3
SCHEMBL18003246 0.80 NR1H2 (0.59) NR1H2NR1H3CA12CA9
SCHEMBL1606291 0.80 NR1H2 (0.44) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778584-A1 PRODUCTION PROCESS OF 2-CHLORO-4-HETEROARYL-PYRIMIDINE DERIVATIVES ARIAD Pharmaceuticals, Inc. (US) 2021-02-17 EP disclosed
EP-3409669-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2020-10-07 EP disclosed
US-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2019-07-18 US disclosed
US-10227342-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
US-9796712-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-9796712-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-07 US disclosed
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-07 US disclosed
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-07-13 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
WO-2015195228-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2015-12-23 WO disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (8 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-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 NR1H2 1372/4885NR1H3 1359/4885CA12 4592/4885
US-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NR1H2 297/4885NR1H3 263/4885CA12 375/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NR1H2 297/4885NR1H3 263/4885CA12 375/4885
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 NR1H2 1372/4885NR1H3 1359/4885CA12 4592/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NR1H2 303/4885NR1H3 265/4885CA12 383/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NR1H2 303/4885NR1H3 265/4885CA12 383/4885
US-10227342-B2 Heteroaryl compounds for kinase inhibition ERBB2, EGFR, ERBB3 NR1H2 1372/4885NR1H3 1359/4885CA12 4592/4885
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 NR1H2 1372/4885NR1H3 1359/4885CA12 4592/4885

“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.