SCHEMBL14738255

SCHEMBL14738255

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.38
SLC6A4 P31645 3/20 0.34
DRD2 P14416 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
SSTR4 P31391 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HASPIN Q8TF76 1/20 0.33
ATM Q13315 1/20 0.33
GHSR Q92847 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
HTR2A P28223 2/20 0.31
OPRM1 P35372 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL14737417 0.84 TLR8 (0.41) KDM4CALDH1A1TLR8
SCHEMBL14738413 0.83 PSEN1 (0.40)
SCHEMBL14738694 0.83 MAPK8 (0.37) KDM4CALDH1A1
SCHEMBL14738530 0.83 KIF11 (0.40) CNR1CNR2ALDH1A1MAPTTLR8
SCHEMBL14737966 0.81 RORA (0.39) LMNAMAPTATMGHSR
SCHEMBL14737632 0.81 DYRK1A (0.44) CNR1CNR2KDM4CALDH1A1HASPIN
SCHEMBL14737627 0.80 DRD2 (0.36) ICMTDRD2TLR8
SCHEMBL14737955 0.80 ALDH1A1 (0.36) ALDH1A1GAASMN1; SMN2
SCHEMBL14737720 0.80 PGR (0.39) CNR1CNR2ALDH1A1SMN1; SMN2TLR8
SCHEMBL14738043 0.79 CNR1 (0.38) ICMTCNR1

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 ICMT 3849/4885SLC6A4 4815/4885DRD2 3959/4885

“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.