SCHEMBL14617855

SCHEMBL14617855

O=[N+]([O-])c1cccc(-n2cc(I)c3c(Cl)ncnc32)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.47
▸ SRC P12931 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HPN P05981 1/20 0.39
▸ KEAP1 Q14145 3/20 0.39
▸ NFE2L2 Q16236 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ HPGD P15428 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
SCHEMBL14617854 0.86 FGFR1 (0.47) FGFR1SRCALDH1A1POLBHPN
SCHEMBL15708559 0.85 CA12 (0.44) FGFR1SRCCA12CA1CA2
SCHEMBL30295090 0.84 SRC (0.50) FGFR1SRCCA12CA1CA2
SCHEMBL14693442 0.81 FGFR1 (0.43) FGFR1ALDH1A1POLBCA12CA1
SCHEMBL14693444 0.81 FGFR1 (0.43) FGFR1ALDH1A1POLBCA12CA1
SCHEMBL30295169 0.79 SRC (0.48) SRCCA12CA1CA2CA9
SCHEMBL22084741 0.79 SRC (0.48) SRCCA12CA1CA2CA9
SCHEMBL2784840 0.79 SRC (0.48) SRCALDH1A1CA12CA1CA2
SCHEMBL25065735 0.78 SRC (0.67) SRCALDH1A1CA12CA1CA2
SCHEMBL398024 0.78 SRC (0.67) SRCALDH1A1CA12CA1CA2

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 39 patents — showing the first 20. 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-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-9540385-B2 Pyrrolopyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-10 — — US disclosed
US-9540385-B2 Pyrrolopyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-10 — — US disclosed
US-9540385-B2 Pyrrolopyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-10 — — US disclosed
US-20160375026-A1 PYRROLOPYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. 2016-12-29 — — US disclosed
US-20160375026-A1 PYRROLOPYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. 2016-12-29 — — 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
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
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 — — US 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 (3 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 FGFR1 1752/4885SRC 43/4885ALDH1A1 4255/4885
US-20160375026-A1 PYRROLOPYRIMIDINE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, ZAP70 FGFR1 1395/4885SRC 153/4885ALDH1A1 4633/4885
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 FGFR1 1267/4885SRC 11/4885ALDH1A1 4515/4885

“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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