SCHEMBL2377045

SCHEMBL2377045

Clc1c[nH]c2ncc(Br)nc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.62
DAO P14920 1/20 0.33
JAK2 O60674 2/20 0.31
JAK3 P52333 1/20 0.31
ABL1 P00519 1/20 0.31
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
CDK7 P50613 1/20 0.31
CDK5 Q00535 1/20 0.31
PRKAA1 Q13131 1/20 0.31
AURKB Q96GD4 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
RPS6KA5 O75582 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL30491303 1.00 MAPK1 (0.62) MAPK1DAOJAK2JAK3ABL1
SCHEMBL13199608 0.77 JAK2 (0.40) MAPK1DAOJAK2JAK3
SCHEMBL30491243 0.77 MAPK1 (0.62) MAPK1JAK2JAK3ABL1RET
SCHEMBL29488969 0.77 MAPK1 (1.00) MAPK1JAK2JAK3ABL1RET
SCHEMBL14331928 0.77 MAPK1 (0.62) MAPK1ABL1RETKDRCDK7
SCHEMBL25257114 0.77 MAPK1 (0.62) MAPK1ABL1RETKDRCDK7
SCHEMBL2378181 0.77 MAPK1 (0.62) MAPK1JAK2JAK3ABL1RET
SCHEMBL649129 0.77 MAPK1 (1.00) MAPK1JAK2JAK3ABL1RET
SCHEMBL1352440 0.73 MAPK1 (0.57) MAPK1CDK5
SCHEMBL25302723 0.73 MAPK1 (0.57) MAPK1JAK2JAK3ABL1RET

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
EP-3430005-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION AND INDICATIONS THEREFORE PLEXXIKON INC (US) 2021-12-08 EP disclosed
EP-3430005-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION AND INDICATIONS THEREFORE Plexxikon Inc. (US) 2019-01-23 EP disclosed
US-10160747-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-12-25 US disclosed
WO-2017161045-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION AND INDICATIONS THEREFORE PLEXXIKON INC. (US) 2017-09-21 WO disclosed
US-20170267660-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-09-21 US disclosed
US-20170267660-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-09-21 US disclosed
WO-2017161045-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION AND INDICATIONS THEREFORE PLEXXIKON INC. (US) 2017-09-21 WO disclosed
CN-102232076-A Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2011-11-02 CN disclosed
EP-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 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 (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-20170267660-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKAR2B, AKT3, MAP3K11 MAPK1 94/4885DAO 3972/4885JAK2 163/4885
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 MAPK1 234/4885DAO 3032/4885JAK2 5/4885
US-10160747-B2 Compounds and methods for kinase modulation, and indications therefor PRKAR2B, AKT3, MAP3K11 MAPK1 94/4885DAO 3972/4885JAK2 163/4885

“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.