SCHEMBL55943

SCHEMBL55943

O=C=Nc1ccc(B(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.46
▸ ENPP2 Q13822 5/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CA2 P00918 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ LPL P06858 2/20 0.41
▸ LIPG Q9Y5X9 2/20 0.41
▸ TRPA1 O75762 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ MGLL Q99685 2/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL22361790 0.94 CA2 (0.48) TSHRCYP3A4KDM4EENPP2MAPK1
SCHEMBL22361789 0.94 CA2 (0.48) TSHRCYP3A4KDM4EENPP2MAPK1
SCHEMBL22419402 0.80 PRSS1 (0.49) —
SCHEMBL15430 0.80 CYP3A4 (0.70) TSHRCYP3A4MAPK1TDP1CA2
SCHEMBL8764209 0.77 P2RY6 (0.50) TSHRKDM4EENPP2CA2CA1
Water SCHEMBL28889229 0.77 CYP3A4 (0.67) TSHRCYP3A4MAPK1TDP1CA2
Ammonia Solution, Strong SCHEMBL28239770 0.77 CYP3A4 (0.67) TSHRCYP3A4MAPK1TDP1CA2
SCHEMBL27741428 0.77 CYP3A4 (0.67) TSHRCYP3A4MAPK1TDP1CA2
SCHEMBL3913281 0.75 ENPP2 (0.45) KDM4EENPP2MAPK1TDP1MGLL
SCHEMBL632310 0.73 CYP3A4 (0.56) TSHRCYP3A4KDM4EMAPK1TDP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774797-B1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2025-11-19 — — EP disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 — — US disclosed
CN-112585147-B MAP4K4 inhibitors 帝国理工学院创新有限公司 2023-12-05 — — CN disclosed
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-06-03 — — US disclosed
CN-112585147-A MAP4K4 inhibitors 帝国科技及医学学院 2021-03-30 — — CN disclosed
EP-3774797-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF Merck Patent GmbH (DE) 2021-02-17 — — EP disclosed
WO-2019192962-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2019-10-10 — — WO disclosed
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 — — US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 — — US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 — — US disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 — — US disclosed
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 — — US disclosed
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 — — EP disclosed
WO-2010011620-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-28 — — WO disclosed
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 — — US disclosed
EP-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 — — EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 — — WO disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 — — US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 — — US disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 — — 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 (8 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK TSHR 3368/4885CYP3A4 4172/4885KDM4E 2048/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 TSHR 2661/4885CYP3A4 4721/4885KDM4E 3173/4885
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 4159/4885CYP3A4 3106/4885KDM4E 772/4885
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD TSHR 3586/4885CYP3A4 843/4885KDM4E 1987/4885
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors IRAK2, IRAK3, IRAK1 TSHR 3661/4885CYP3A4 1946/4885KDM4E 655/4885
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD TSHR 2976/4885CYP3A4 788/4885KDM4E 591/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 TSHR 3306/4885CYP3A4 2011/4885KDM4E 2732/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 TSHR 2661/4885CYP3A4 4721/4885KDM4E 3173/4885

“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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