SCHEMBL14693601

SCHEMBL14693601

Nc1ncnc2c1c(I)nn2-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ MAPT P10636 6/20 0.44
▸ HPGD P15428 3/20 0.44
▸ GFER P55789 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SRC P12931 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ XDH P47989 1/20 0.43
▸ FGFR1 P11362 1/20 0.42
▸ MEN1 O00255 2/20 0.42

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
SCHEMBL5803258 0.85 XDH (0.58) RAB9ANPC1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL14693559 0.81 MAPK14 (0.44) RAB9ANPC1SMN1; SMN2EGFRFGFR1
SCHEMBL14617854 0.79 FGFR1 (0.47) RAB9ANPC1PIK3CDPIK3CAPIK3CB
SCHEMBL14693600 0.78 XDH (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27020088 0.78 SRC (0.56) RAB9ANPC1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL15709443 0.77 PIK3CD (0.43) RAB9ANPC1PIK3CDPIK3CAPIK3CB
SCHEMBL14693420 0.77 MAPT (0.46) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL3867663 0.76 XDH (0.73) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL14693482 0.75 ABL1 (0.43) RAB9ANPC1SMN1; SMN2MAPTEGFR
SCHEMBL29218170 0.73 FGFR1 (0.53) RAB9ANPC1SMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-9273051-B2 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-03-01 — — US disclosed
US-9273051-B2 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-03-01 — — US disclosed
US-9273051-B2 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-03-01 — — US disclosed
US-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — US disclosed
US-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — US disclosed
US-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — US disclosed
WO-2013102059-A1 PYRAZOLO [3, 4-D] PYRIMIDINE AND PYRROLO [2, 3-D] PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — WO disclosed
US-8377946-B1 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS, INC. (US) 2013-02-19 — — US disclosed
US-8377946-B1 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS, INC. (US) 2013-02-19 — — US disclosed
US-8377946-B1 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS, INC. (US) 2013-02-19 — — 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 (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-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, LYN RAB9A 2815/4885NPC1 4688/4885SMN1; SMN2 4469/4885

“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.

Send feedback