SCHEMBL3098258

SCHEMBL3098258

Cn1nc(-c2ccc(-n3cnc(CO)c3)cc2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ HRH3 Q9Y5N1 18/20 0.45
▸ KCNH2 Q12809 1/20 0.39
▸ MAP4K4 O95819 1/20 0.36

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
SCHEMBL3097596 0.88 HRH3 (0.45) PDE3BPDE3AHRH3KCNH2MAP4K4
SCHEMBL7280452 0.77 PDE3B (0.56) PDE3BPDE3AHRH3KCNH2MAP4K4
SCHEMBL3090848 0.77 HPGD (0.43) —
SCHEMBL28029422 0.75 HRH3 (0.61) HRH3KCNH2
SCHEMBL4427934 0.72 PDE3B (0.54) PDE3BPDE3A
SCHEMBL7290491 0.72 PDE3B (0.57) PDE3BPDE3AHRH3
SCHEMBL4432563 0.72 NOTUM (0.51) PDE3BPDE3A
SCHEMBL1372655 0.70 HRH3 (0.54) HRH3KCNH2
SCHEMBL1277916 0.69 PDE3B (0.49) PDE3BPDE3A
SCHEMBL17544018 0.69 PKM (0.42) HRH3

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-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 — — US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 — — US disclosed
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 — — EP disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 — — WO disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 — — 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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 PDE3B 131/4885PDE3A 188/4885HRH3 1587/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PDE3B 131/4885PDE3A 188/4885HRH3 1587/4885

“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.

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