SCHEMBL3097596

SCHEMBL3097596

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 17/20 0.45
▸ KCNH2 Q12809 1/20 0.39
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ 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
SCHEMBL3098258 0.88 PDE3B (0.50) HRH3KCNH2PDE3BPDE3AMAP4K4
SCHEMBL3090848 0.75 HPGD (0.43) —
SCHEMBL7290491 0.72 PDE3B (0.57) HRH3PDE3BPDE3A
SCHEMBL5677056 0.70 KEAP1 (0.56) HRH3KCNH2
SCHEMBL1277385 0.69 CPB2 (0.41) PDE3BPDE3ACA1CA2
SCHEMBL1698930 0.69 CPB1 (0.39) HRH3PDE3BPDE3ACA1CA2
Hydrochloric Acid SCHEMBL1277342 0.69 CPB2 (0.41) PDE3BPDE3ACA1CA2
SCHEMBL28187390 0.68 CPB2 (0.54) PDE3BPDE3A
SCHEMBL5287962 0.68 HRH3 (0.51) HRH3KCNH2
SCHEMBL3089686 0.67 HRH3 (0.54) HRH3KCNH2CA1CA2

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 HRH3 1587/4885KCNH2 1993/4885PDE3B 131/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HRH3 1587/4885KCNH2 1993/4885PDE3B 131/4885

“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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