SCHEMBL2280415

SCHEMBL2280415

Brn1ccc2nccnc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
MET P08581 1/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
RPS6KA5 O75582 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL31637708 0.75 ELANE (0.44) ELANEMETCCNB2CDK1CCNB1
SCHEMBL18938891 0.71 ELANE (0.42) ELANEMETCCNB2CDK1CCNB1
SCHEMBL256368 0.71 ELANE (0.42) ELANEMETCCNB2CDK1CCNB1
SCHEMBL27987760 0.68 RPS6KA5 (0.57) METRPS6KA5
SCHEMBL24823944 0.67 ELANE (0.42) ELANEMETCCNB2CDK1CCNB1
SCHEMBL18237765 0.67 ELANE (0.39) ELANEMETCCNB2CDK1CCNB1
SCHEMBL12844053 0.67 ELANE (0.39) ELANEMETCCNB2CDK1CCNB1
SCHEMBL12775635 0.67 ELANE (0.42) ELANEMETCCNB2CDK1CCNB1
SCHEMBL24670234 0.64 MET (0.47) ELANEMET
SCHEMBL23209051 0.61 MET (0.44) ELANEMETKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632347-B Preparation method of pyrrolopyrazine compound and salt thereof 南京圣和药物研发有限公司 2021-09-10 CN disclosed
US-20160214996-A1 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES WELL NOVA LIMITED (VG) 2016-07-28 US disclosed
WO-2015050989-A2 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES CS THERAPEUTICS INC. (US) 2015-04-09 WO disclosed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 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 (2 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 ELANE 4084/4885MET 3853/4885CCNB2 2857/4885
US-20160214996-A1 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES MET, HGF, ALK ELANE 4396/4885MET 1/4885CCNB2 362/4885

“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.