SCHEMBL1752563

SCHEMBL1752563

Nc1cccc(-c2cc(-n3ccccc3=O)ccc2-n2cc(CNC(=O)c3ccc(Cl)s3)nn2)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
F10 P00742 19/20 0.47

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
SCHEMBL1752387 0.92 F10 (0.49) F10
SCHEMBL8154626 0.92 F10 (0.48) F10
SCHEMBL1752425 0.90 F10 (0.47) P2RX7F10
SCHEMBL1751589 0.89 F10 (0.47) P2RX7F10
SCHEMBL1751241 0.89 F10 (0.48) F10
SCHEMBL1752605 0.88 F10 (0.49) F10
SCHEMBL1752473 0.88 F10 (0.49) F10
SCHEMBL1751565 0.88 F10 (0.47) F10
SCHEMBL1752508 0.88 F10 (0.49) F10
SCHEMBL1752250 0.87 F10 (0.53) F10

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-20110160196-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2011-06-30 US claimed
US-20110160196-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20080293704-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080293704-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2008-11-27 US disclosed
WO-2008086226-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 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-20080293704-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 P2RX7 1813/4885F10 10/4885
US-20110160196-A1 FACTOR XA INHIBITORS TFPI, F12, F11 P2RX7 1813/4885F10 10/4885

“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.