SCHEMBL14737945

SCHEMBL14737945

Cn1nc(I)c2cc(CO)ccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.42
SYK P43405 2/20 0.38
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MCHR1 Q99705 1/20 0.34
GRM2 Q14416 2/20 0.33
MAP3K14 Q99558 1/20 0.32
CACNA1H O95180 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
PLAU P00749 1/20 0.31
TSHR P16473 1/20 0.31
RPS6KA5 O75582 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
SCHEMBL24337947 0.87 ESR1 (0.36) PGRSYKHSD17B10KDM4EALDH1A1
SCHEMBL28132617 0.80 MCHR1 (0.34) PGRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL14755239 0.78 KDM4E (0.31) SYKHSD17B10KDM4EALDH1A1HPGD
SCHEMBL14737465 0.77 ESR1 (0.46) ADORA2AADORA2B
SCHEMBL15792144 0.75 ADORA2A (0.39) PGRHSD17B10KDM4EALDH1A1MAPT
SCHEMBL15687406 0.75 SLC16A1 (0.36) PGRSYKHSD17B10KDM4EALDH1A1
SCHEMBL14737842 0.74 CNR2 (0.36) CNR1CNR2MCHR1
SCHEMBL15793095 0.74 MAPK8 (0.44) KDM4EMAPTMCHR1
SCHEMBL1047954 0.74 MAPK8 (0.44) ALDH1A1MAPTADORA2AADORA2B
SCHEMBL17686457 0.74 MEN1 (0.41) HSD17B10KDM4EALDH1A1HPGDMAPT

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 10 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-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
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US 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
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US 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 PGR 3257/4885SYK 1/4885HSD17B10 3538/4885

“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.