SCHEMBL2378181

SCHEMBL2378181

Cc1c[nH]c2ncc(Br)nc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.62
ABL1 P00519 1/20 0.37
RET P07949 1/20 0.37
KDR P35968 1/20 0.37
CDK7 P50613 1/20 0.37
CDK5 Q00535 1/20 0.37
PRKAA1 Q13131 1/20 0.37
AURKB Q96GD4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
JAK2 O60674 2/20 0.31
JAK3 P52333 2/20 0.31
JAK1 P23458 1/20 0.31
SYK P43405 2/20 0.30
AXL P30530 1/20 0.30
PRKCI P41743 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
SCHEMBL30491243 1.00 MAPK1 (0.62) MAPK1ABL1RETKDRCDK7
SCHEMBL7950769 0.80 MAPK1 (0.39) MAPK1JAK2JAK3JAK1SYK
SCHEMBL2377045 0.77 MAPK1 (0.62) MAPK1ABL1RETKDRCDK7
SCHEMBL20846079 0.77 ALDH1A1 (0.41) MAPK1JAK2JAK3JAK1SYK
SCHEMBL29488969 0.77 MAPK1 (1.00) MAPK1ABL1RETKDRCDK7
SCHEMBL25257114 0.77 MAPK1 (0.62) MAPK1ABL1RETKDRCDK7
SCHEMBL14331928 0.77 MAPK1 (0.62) MAPK1ABL1RETKDRCDK7
SCHEMBL21941202 0.77 MAPK1 (0.37) MAPK1JAK2JAK3JAK1SYK
SCHEMBL30491303 0.77 MAPK1 (0.62) MAPK1ABL1RETKDRCDK7
SCHEMBL649129 0.77 MAPK1 (1.00) MAPK1ABL1RETKDRCDK7

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 16 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
US-20230102554-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. 2023-03-30 US disclosed
EP-3990443-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, Inc. (US) 2022-05-04 EP disclosed
WO-2020264420-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. (US) 2020-12-30 WO disclosed
WO-2020264420-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. (US) 2020-12-30 WO disclosed
US-9309250-B2 Substituted pyrrolo[2,3-b]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-12 US disclosed
CN-102232076-B Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2014-12-31 CN disclosed
US-8822469-B2 Pyrrolo[2,3-B]pyrazines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-20130034616-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20130018035-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US 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 (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-20130018035-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885ABL1 112/4885RET 650/4885
US-20230102554-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF PDGFRB, PDGFRA, FGFR1 MAPK1 232/4885ABL1 13/4885RET 4/4885
US-20130034616-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885ABL1 112/4885RET 650/4885
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 MAPK1 234/4885ABL1 273/4885RET 271/4885

“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.