SCHEMBL346269

SCHEMBL346269

COc1ccc(CNc2cc([N+](=O)[O-])ccn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 1/20 0.67
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
CRHBP P24387 2/20 0.60
CRHR2 Q13324 2/20 0.60
EGFR P00533 3/20 0.57
IGF1R P08069 2/20 0.57
CLK4 Q9HAZ1 3/20 0.51
CNR2 P34972 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK1 P49759 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ASPH Q12797 1/20 0.47
KDM8 Q8N371 1/20 0.47
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL27925457 0.82 POLB (0.63) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL26608015 0.81 KMT2A (1.00) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2144142 0.78 KMT2A (0.65) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL8422251 0.78 MEN1 (0.68) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL28131061 0.77 CLK4 (0.57) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL3923979 0.76 CLK4 (0.53) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL3159168 0.76 CLK4 (0.56) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL1136780 0.76 KMT2A (0.55) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL436482 0.75 CLK4 (0.55) CLK4DYRK1ACLK1KDM4EASPH
SCHEMBL5521162 0.75 MAPT (0.81) KMT2ANPC1RAB9AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511333-B1 CRYSTAL FORM AND SALT FORM OF 7H-PYRROLO[2,3-D]PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR WUXI FORTUNE PHARMACEUTICAL CO LTD (CN) 2021-05-12 EP disclosed
US-10774094-B2 Crystal forms and salt forms of 7h-pyrrolo[2,3-d]pyrimidine compounds and preparation method thereof Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2020-09-15 US disclosed
US-20190218231-A1 Crystal Forms And Salt Forms Of 7h-Pyrrolo[2,3-D]Pyrimidine Compounds And Preparation Method Thereof Wuxi Fortune Pharmaceutical Co.,Ltd (CN) 2019-07-18 US disclosed
EP-3511333-A1 CRYSTAL FORM AND SALT FORM OF 7H-PYRROLO[2,3-D]PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2019-07-17 EP disclosed
US-20180162879-A1 JANUS KINASE INHIBITOR Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2018-06-14 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-8513421-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US disclosed
US-8513421-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
WO-2011146591-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 WO disclosed
CN-101365682-A Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARM INC (US) 2009-02-11 CN disclosed
EP-1957460-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-08-20 EP disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 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 (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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KMT2A 60/4885NPC1 3030/4885RAB9A 939/4885
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 KMT2A 38/4885NPC1 1916/4885RAB9A 1876/4885
US-10774094-B2 Crystal forms and salt forms of 7h-pyrrolo[2,3-d]pyrimidine compounds and preparation method thereof DPYD, TPMT, NUDT1 KMT2A 3064/4885NPC1 3898/4885RAB9A 829/4885
US-20180162879-A1 JANUS KINASE INHIBITOR JAK2, JAK1, JAK3 KMT2A 1272/4885NPC1 2109/4885RAB9A 1722/4885
US-20190218231-A1 Crystal Forms And Salt Forms Of 7h-Pyrrolo[2,3-D]Pyrimidine Compounds And Preparation Method Thereof DPYD, TPMT, NUDT1 KMT2A 3064/4885NPC1 3898/4885RAB9A 829/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 KMT2A 1162/4885NPC1 1541/4885RAB9A 2160/4885

“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.