SCHEMBL16134079

SCHEMBL16134079

CNc1nc(Nc2ccccc2NC(=O)OC(C)(C)C)ncc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 3/20 0.48
▸ PTK2B Q14289 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ GSK3B P49841 5/20 0.46
▸ GSK3A P49840 4/20 0.45
▸ AURKA O14965 2/20 0.45
▸ PTK2 Q05397 5/20 0.44
▸ IGF1R P08069 2/20 0.44
▸ CDC7 O00311 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ DCLK1 O15075 1/20 0.44
▸ CHUK O15111 1/20 0.44

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
SCHEMBL16137332 0.84 LRRK2 (0.47) AURKACDK2MAPK1ITKSYK
SCHEMBL16134078 0.83 SYK (0.44) AURKAMAPKAPK2SYKLRRK2MAPK3
SCHEMBL5413325 0.78 LRRK2 (0.62) PLK1PTK2BMEN1CYP1A2CYP3A4
SCHEMBL5416315 0.77 IGF1R (0.52) PLK1PTK2BMEN1CYP1A2CYP3A4
SCHEMBL5408522 0.77 LRRK2 (0.65) PLK1PTK2BMEN1MAPTKMT2A
SCHEMBL5418647 0.77 IGF1R (0.59) PLK1PTK2BMEN1CYP1A2CYP3A4
SCHEMBL24690431 0.77 FGFR4 (0.51) PTK2SYKLRRK2MAPK3
SCHEMBL5413522 0.76 PTK2 (0.54) PLK1PTK2BMEN1CYP1A2CYP3A4
SCHEMBL5415257 0.76 MEN1 (0.50) PLK1PTK2BMEN1CYP1A2CYP3A4
SCHEMBL5413297 0.75 GSK3B (0.53) PLK1PTK2BMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189794-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2019-01-29 — — US disclosed
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-01-25 — — US disclosed
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-01-25 — — US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 — — US disclosed
US-9695132-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2017-07-04 — — US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 — — US disclosed
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-08-04 — — US disclosed
US-9321786-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-04-26 — — US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 — — US disclosed
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2014-10-02 — — 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 (6 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-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PLK1 1251/4885PTK2B 2507/4885MEN1 606/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC PLK1 23/4885PTK2B 178/4885MEN1 3268/4885
US-10189794-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 PLK1 1251/4885PTK2B 2507/4885MEN1 606/4885
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PLK1 1251/4885PTK2B 2507/4885MEN1 606/4885
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PLK1 1251/4885PTK2B 2507/4885MEN1 606/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC PLK1 23/4885PTK2B 178/4885MEN1 3268/4885

“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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