SCHEMBL17384845

SCHEMBL17384845

COC(=O)Cn1cc(-c2ccnc(Cl)n2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.52
▸ POLB P06746 2/20 0.50
▸ GSK3B P49841 2/20 0.48
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ APOBEC3A P31941 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ MKNK2 Q9HBH9 3/20 0.44
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MKNK1 Q9BUB5 2/20 0.43

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
SCHEMBL19103337 0.87 GSK3B (0.43) GSK3BMKNK2CA12CA1CA2
SCHEMBL17542604 0.81 MKNK2 (0.53) POLBGSK3BALDH1A1MAPTMKNK2
SCHEMBL22510213 0.81 GAA (0.50) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL17384835 0.80 GAA (0.49) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL19254498 0.79 GSK3B (0.48) GSK3BMKNK2MKNK1EGFR
SCHEMBL19532488 0.79 MKNK2 (0.54) GSK3BMKNK2CA12CA1CA2
SCHEMBL30883818 0.77 GSK3B (0.49) POLBGSK3BMEN1KMT2AMKNK2
SCHEMBL17822343 0.77 GSK3B (0.49) POLBGSK3BMEN1KMT2AMKNK2
SCHEMBL21596385 0.77 POLB (0.61) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL22585743 0.77 EGFR (0.49) GSK3BMKNK2MKNK1EGFR

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 11 patents. 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
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-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-07-13 — — US disclosed
WO-2015195228-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2015-12-23 — — 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 (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-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 GAA 535/4885POLB 1649/4885GSK3B 326/4885
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 GAA 535/4885POLB 1649/4885GSK3B 326/4885
US-10227342-B2 Heteroaryl compounds for kinase inhibition ERBB2, EGFR, ERBB3 GAA 535/4885POLB 1649/4885GSK3B 326/4885
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 GAA 535/4885POLB 1649/4885GSK3B 326/4885

“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.

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