SCHEMBL415753

SCHEMBL415753

c1cncc(-n2ccc3cccnc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.51
CDK2 P24941 1/20 0.51
CYP2A6 P11509 4/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2E1 P05181 2/20 0.50
PTK2 Q05397 1/20 0.45
KDM4E B2RXH2 1/20 0.45
AURKA O14965 1/20 0.44
CDK4 P11802 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
PARP1 P09874 1/20 0.44
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL30405693 1.00 CDC7 (0.51) CDC7CDK2CYP2A6CYP3A4CYP2E1
SCHEMBL1150333 0.85 CDC7 (0.54) CDC7CDK2KDM4EPARP1CYP2C19
SCHEMBL30828406 0.85 CDC7 (0.54) CDC7CDK2KDM4EPARP1CYP2C19
SCHEMBL14223974 0.84 MAPKAPK2 (0.45) CDC7CDK2CYP2A6CYP3A4KDM4E
SCHEMBL2294384 0.84 CDC7 (0.53) CDC7CDK2KDM4EMKNK2PARP1
SCHEMBL2295440 0.83 CDC7 (0.56) CDC7CDK2KDM4EMKNK2PARP1
Hydrochloric Acid SCHEMBL30335602 0.82 CDC7 (0.51) CDC7CDK2PTK2KDM4EMKNK2
SCHEMBL4804886 0.81 CDC7 (0.42) CDC7CDK2CYP2A6CYP3A4CYP2E1
SCHEMBL2295195 0.80 CDC7 (0.53) CDC7CDK2KDM4EMKNK2PARP1
SCHEMBL4859211 0.80 MAPT (0.42) CDC7CDK2CYP2A6CYP3A4CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
EP-2395004-B1 Pyrrolo [2,3-b]pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2016-01-20 EP disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
CN-102603581-B PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC 2015-06-24 CN disclosed
CN-102206216-B Pyrrolo[2,3-B] pyridine derivatives as protein kinase inhibitors PLEXXIKON INC 2014-11-12 CN disclosed
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-11-14 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
CN-101243084-A Pyrrolo [2, 3-B ] pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2008-08-13 CN disclosed
US-7405300-B2 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMAVEUTICALS INC. (US) 2008-07-29 US disclosed
EP-1893612-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-03-05 EP disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
CN-1870991-A Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMA INC (US) 2006-11-29 CN disclosed
EP-1663202-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
WO-2005023246-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-17 WO disclosed
US-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 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 (7 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-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) PARP1, PARP11, PARP3 CDC7 2087/4885CDK2 278/4885CYP2A6 2023/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDC7 161/4885CDK2 85/4885CYP2A6 4605/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDC7 161/4885CDK2 85/4885CYP2A6 4605/4885
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDC7 161/4885CDK2 85/4885CYP2A6 4605/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDC7 161/4885CDK2 85/4885CYP2A6 4605/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDC7 161/4885CDK2 85/4885CYP2A6 4605/4885
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDC7 161/4885CDK2 85/4885CYP2A6 4605/4885

“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.