SCHEMBL426228

SCHEMBL426228

Cc1cnc(-c2cccn2[Si](C(C)C)(C(C)C)C(C)C)s1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.32
HDAC4 P56524 1/20 0.30
SRC P12931 1/20 0.30
CDK2 P24941 1/20 0.30
ZAP70 P43403 1/20 0.30
SYK P43405 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL427678 0.73 PDPK1 (0.41) ADORA2AADORA1
SCHEMBL5327965 0.68
SCHEMBL12661392 0.67 PCSK9 (0.43)
SCHEMBL10002194 0.66 NOS1 (0.55) NOS1HDAC4SRCCDK2ZAP70
SCHEMBL158096 0.63 HDAC4 (0.52) NOS1HDAC4
SCHEMBL4503446 0.63
SCHEMBL23176773 0.62 LIMK1 (0.38) NOS1HDAC4
SCHEMBL28490387 0.62 EGLN2 (0.41)
SCHEMBL20175446 0.62 NOS1 (0.44) NOS1HDAC4SRCCDK2ZAP70
SCHEMBL890173 0.61 RAB9A (0.50) NOS1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015637-B Phenylpyrrole derivatives DAIICHI SANKYO CO LTD 2014-05-21 CN disclosed
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 NOS1 1830/4885HDAC4 1075/4885SRC 1219/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 NOS1 1830/4885HDAC4 1075/4885SRC 1219/4885

“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.