SCHEMBL14737632

SCHEMBL14737632

CCCC[Sn](CCCC)(CCCC)c1nn(C)c2cc(OC)ccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.44
KDR P35968 3/20 0.42
CNR2 P34972 4/20 0.38
KDM4C Q9H3R0 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 1/20 0.37
CNR1 P21554 1/20 0.37
HASPIN Q8TF76 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR3A P46098 1/20 0.36

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
SCHEMBL14738334 0.90 MAOA (0.42) DYRK1AMAOAMAOBKDM4EHSD17B10
SCHEMBL14737955 0.85 ALDH1A1 (0.36) DYRK1AKDRKDM4EALDH1A1
SCHEMBL14737417 0.82 TLR8 (0.41) KDM4CKDM4EHSD17B10ALDH1A1
SCHEMBL14738694 0.81 MAPK8 (0.37) KDM4CHSD17B10ALDH1A1
SCHEMBL14738255 0.81 ICMT (0.38) CNR2KDM4CCNR1HASPINALDH1A1
SCHEMBL14738413 0.81 PSEN1 (0.40)
SCHEMBL14737966 0.79 RORA (0.39)
SCHEMBL14737627 0.78 DRD2 (0.36) HSD17B10
SCHEMBL14738530 0.78 KIF11 (0.40) CNR2CNR1KDM4EALDH1A1
SCHEMBL14737720 0.77 PGR (0.39) CNR2CNR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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 (1 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 DYRK1A 458/4885KDR 1906/4885CNR2 3309/4885

“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.