SCHEMBL2365229

SCHEMBL2365229

O=C(O)N(CCN1CCOCC1)c1cccc(Cc2nn(-c3cnn(CC(F)(F)F)c3)ccc2=O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CASR P41180 2/20 0.32
SIGMAR1 Q99720 3/20 0.32
BTK Q06187 1/20 0.31
PARP1 P09874 2/20 0.31
MAPK14 Q16539 1/20 0.31
ALKBH1 Q13686 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
PLA2G7 Q13093 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3R2 O00459 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
PIK3R5 Q8WYR1 1/20 0.30
PIK3R3 Q92569 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
SCHEMBL2221167 0.91 CASR (0.35) CASRSIGMAR1BTKPARP1POLB
SCHEMBL13274618 0.90 CASR (0.34) CASRSIGMAR1BTKPARP1PIK3CD
SCHEMBL13275099 0.89 CASR (0.36) CASRSIGMAR1PARP1POLBTSHR
SCHEMBL13275475 0.89 CASR (0.35) CASRSIGMAR1BTKPARP1EGLN1
SCHEMBL13274753 0.85 EGLN1 (0.33) EGLN1PIK3CDPIK3R2PIK3CG
SCHEMBL2222897 0.84 SMN1; SMN2 (0.36) PARP1MAPK14TSHRPLA2G7
SCHEMBL13275002 0.84 CASR (0.36) CASRSIGMAR1PARP1MAPK14POLB
SCHEMBL2265192 0.83 HDAC1 (0.32)
SCHEMBL2268020 0.83 PIK3CD (0.33) PIK3CDPIK3R2PIK3CG
SCHEMBL2220660 0.83 SIGMAR1 (0.36) CASRSIGMAR1PARP1MAPK14POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 CCNC 536/4885CDK8 191/4885CASR 2573/4885

“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.