SCHEMBL14617845

SCHEMBL14617845

CC(C)(C)OC(=O)Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ SLC29A1 Q99808 1/20 0.42
▸ VCP P55072 4/20 0.41
▸ PSMC4 P43686 1/20 0.40
▸ BCL2 P10415 1/20 0.40
▸ BECN1 Q14457 1/20 0.40
▸ AURKA O14965 2/20 0.39
▸ PTPN11 Q06124 2/20 0.39
▸ BTK Q06187 5/20 0.38
▸ NUDT14 O95848 1/20 0.38
▸ NUDT5 Q9UKK9 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MCL1 Q07820 1/20 0.37

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
SCHEMBL14617848 0.88 BTK (0.47) VCPPSMC4BTKNUDT14NUDT5
SCHEMBL14617847 0.88 VCP (0.43) HTTVCPPSMC4BTKNUDT14
SCHEMBL14693484 0.81 SLC29A1 (0.43) HTTSLC29A1BCL2BECN1KDM4E
SCHEMBL14617846 0.79 EGFR (0.60) BTKNUDT14NUDT5
SCHEMBL5801335 0.74 ABL1 (0.67) —
SCHEMBL15087024 0.74 XDH (0.55) SLC29A1KDM4EALDH1A1
SCHEMBL14693482 0.73 ABL1 (0.43) SLC29A1AURKA
SCHEMBL15709370 0.72 ALDH1A1 (0.40) HTTSLC29A1BCL2BECN1AURKA
SCHEMBL7703972 0.71 ABL1 (0.62) —
SCHEMBL14693430 0.70 SLC29A1 (0.42) HTTSLC29A1BCL2BECN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862722-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2018-01-09 — — US disclosed
US-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2015-11-19 — — US disclosed
US-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2015-11-19 — — US disclosed
US-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 — — US disclosed
US-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 — — US disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 — — US disclosed
WO-2013010136-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 — — WO disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 — — 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-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 HTT 3327/4885SLC29A1 3728/4885VCP 3180/4885
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 HTT 3327/4885SLC29A1 3728/4885VCP 3180/4885

“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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