SCHEMBL14738410

SCHEMBL14738410

CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(I)nn2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
PREP P48147 4/20 0.36
ELANE P08246 4/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30
NQO2 P16083 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL14737541 0.87 CA12 (0.39) CA12CA1CA9PREPELANE
SCHEMBL17026640 0.83 CA12 (0.40) CA12CA1CA9PREPALDH1A1
SCHEMBL14737654 0.80 CA12 (0.43) CA12CA1CA9PREPHSP90AA1
SCHEMBL17026523 0.77 KDM4E (0.40) CA12CA1CA9PREPHSP90AA1
SCHEMBL14738967 0.76 CPT1A (0.36) ELANEHSP90AA1ALDH1A1HPGDTSHR
SCHEMBL17026493 0.76 CA12 (0.40) CA12CA1CA9PREPHSP90AA1
SCHEMBL177327 0.74 RORC (0.36) ELANE
SCHEMBL3636090 0.74 ELANE (0.45) ELANEALDH1A1
SCHEMBL9953073 0.74 ELANE (0.40) ELANEKDM4EALDH1A1HPGDRAB9A
SCHEMBL14739013 0.72 ELANE (0.36) ELANEKDM4EALDH1A1HPGDHSD17B10

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 CA12 4590/4885CA1 4390/4885CA9 4652/4885

“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.