SCHEMBL5340393

SCHEMBL5340393

COc1ccc(CCCC(=O)NC(NC(Cc2ccccc2C)=NC#N)C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.54
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
GLA P06280 1/20 0.38

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
SCHEMBL5340389 1.00 P2RX7 (0.54) P2RX7ALDH1A1KMT2ARAB9AATM
SCHEMBL5341578 0.91 P2RX7 (0.51) P2RX7ALDH1A1ATMTDP1L3MBTL1
SCHEMBL5341574 0.91 P2RX7 (0.51) P2RX7ALDH1A1ATMTDP1L3MBTL1
SCHEMBL5343876 0.88 P2RX7 (0.47) P2RX7ALDH1A1KMT2AMEN1
SCHEMBL5343879 0.88 P2RX7 (0.47) P2RX7ALDH1A1KMT2AMEN1
SCHEMBL6403103 0.83 P2RX7 (0.70) P2RX7ALDH1A1KMT2ARAB9A
SCHEMBL6403100 0.83 P2RX7 (0.70) P2RX7ALDH1A1KMT2ARAB9A
SCHEMBL5340083 0.82 P2RX7 (0.59) P2RX7
SCHEMBL5340090 0.82 P2RX7 (0.59) P2RX7
SCHEMBL5344057 0.82 P2RX7 (0.48) P2RX7ALDH1A1KMT2AMEN1

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
US-7241776-B2 Cyanoamidine P2X7 antagonists for the treatment of pain ABBOTT LABORATORIES (US) 2007-07-10 US claimed
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain ABBVIE INC. 2006-02-02 US claimed
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain CARROLL WILLIAM A 2007-10-04 US disclosed
US-7241776-B2 Cyanoamidine P2X7 antagonists for the treatment of pain ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain ABBVIE INC. 2006-02-02 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 (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-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain P2RX2, P2RX1, P2RX7 P2RX7 3/4885ALDH1A1 3848/4885KMT2A 3257/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 P2RX7 3/4885ALDH1A1 3848/4885KMT2A 3257/4885

“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.