SCHEMBL2386931

SCHEMBL2386931

[c]1cccc(-c2ccn[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.61
CYP2E1 P05181 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP2B6 P20813 1/20 0.53
NOTUM Q6P988 4/20 0.50
PDPK1 O15530 1/20 0.50
HPGDS O60760 4/20 0.49
POLB P06746 3/20 0.47
PTPN11 Q06124 1/20 0.47
CD74 P04233 1/20 0.45
MIF P14174 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LTA4H P09960 1/20 0.44
MAPK1 P28482 1/20 0.44
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL797908 0.77 SCN4A (0.61) SCN4ACYP2E1CYP2A6CYP2B6NOTUM
SCHEMBL3026361 0.76 SCN4A (1.00) SCN4ACYP2E1CYP2A6CYP2B6NOTUM
SCHEMBL25190222 0.74 SCN4A (0.44) SCN4ACYP2E1CYP2A6CYP2B6NOTUM
SCHEMBL17279815 0.74 NOTUM (0.74) SCN4ACYP2E1CYP2A6CYP2B6NOTUM
SCHEMBL2873511 0.73 CYP2E1 (0.31) SCN4ACYP2E1CYP2A6CYP2B6
SCHEMBL17279817 0.73 POLB (0.77) SCN4ACYP2E1CYP2A6CYP2B6NOTUM
SCHEMBL610112 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3200989 0.72
SCHEMBL18235564 0.71 NOTUM (0.71) SCN4ACYP2E1CYP2A6CYP2B6NOTUM
SCHEMBL18228614 0.71 CYP2E1 (0.56) SCN4ACYP2E1CYP2A6CYP2B6NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US claimed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US claimed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP claimed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 WO claimed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 WO claimed
CN-114007671-B Methods and compositions for treating chronic inflammatory lesions, metaplasias, dysplasias, and cancers of epithelial tissue 休斯敦大学体系 2024-06-14 CN disclosed
CN-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 CN disclosed
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2022-06-30 US disclosed
EP-3962559-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES University of Houston System (US) 2022-03-09 EP disclosed
CN-114007671-A Methods and compositions for treating chronic inflammatory injury, metaplasia, dysplasia and cancer of epithelial tissue 休斯敦大学体系 2022-02-01 CN disclosed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN disclosed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 WO disclosed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 WO disclosed
CN-102858175-A Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC 2013-01-02 CN disclosed
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
CN-101910158-A Pyridine and pyrazine derivatives useful in the treatment of cell proliferative disorders ASTRAZENECA AB 2010-12-08 CN disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 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 (4 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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B SCN4A 3382/4885CYP2E1 945/4885CYP2A6 1951/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B SCN4A 3382/4885CYP2E1 945/4885CYP2A6 1951/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 SCN4A 4580/4885CYP2E1 1013/4885CYP2A6 3748/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 SCN4A 848/4885CYP2E1 419/4885CYP2A6 1781/4885

“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.