SCHEMBL17317850

SCHEMBL17317850

O=C(O)N1CCc2c(I)n[nH]c2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.39
CREBBP Q92793 3/20 0.36
BRD4 O60885 2/20 0.36
EP300 Q09472 2/20 0.36
MAPK1 P28482 1/20 0.34
AURKA O14965 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
RBP4 P02753 2/20 0.34
PIP5K1C O60331 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL20818349 0.87 CREBBP (0.44) CREBBPBRD4EP300MAPK1HCAR2
SCHEMBL18880484 0.86 MAPK1 (0.47) CREBBPBRD4EP300MAPK1AURKA
SCHEMBL21995304 0.85 CCNA2 (0.39) P2RX7CREBBPBRD4EP300AURKA
SCHEMBL16127191 0.82 CREBBP (0.52) P2RX7CREBBPBRD4EP300MAPK1
SCHEMBL22541359 0.82 P2RX7 (0.49) P2RX7AURKACCNA2CDK2CCNA1
SCHEMBL28646727 0.81 P2RX7 (0.39) P2RX7CREBBPBRD4EP300MAPK1
SCHEMBL28644919 0.81 CREBBP (0.41) P2RX7CREBBPBRD4EP300MAPK1
SCHEMBL28645366 0.79 RBP4 (0.43) P2RX7CREBBPBRD4EP300MAPK1
SCHEMBL17317597 0.79 ADORA1 (0.44) MAPK1RBP4
SCHEMBL23881426 0.77 P2RX7 (0.37) P2RX7CREBBPBRD4EP300MAPK1

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
US-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
EP-3152206-A1 ATX MODULATING AGENTS Biogen MA Inc. (US) 2017-04-12 EP disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 WO 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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 P2RX7 1223/4885CREBBP 1508/4885BRD4 681/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 P2RX7 1224/4885CREBBP 1504/4885BRD4 683/4885

“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.