SCHEMBL12134355

SCHEMBL12134355

CN1CCN=C1c1ccc(C(=O)Nc2ccc(Cl)cc2N(C)C)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.56
KLKB1 P03952 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
MAPT P10636 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR1F P30939 1/20 0.40

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
SCHEMBL12134286 0.89 F10 (0.51) F10MAPT
SCHEMBL10181350 0.87 F10 (0.54) F10
SCHEMBL10178340 0.87 F10 (0.62) F10KLKB1KCNH2
SCHEMBL10178589 0.85 RAB9A (0.52) F10MAPTHTR1F
SCHEMBL12134192 0.85 F10 (0.67) F10KLKB1
SCHEMBL12132372 0.85 F10 (0.46) F10HTR1F
SCHEMBL10181304 0.83 F10 (0.79) F10KLKB1KCNH2
SCHEMBL10182162 0.83 F10 (0.56) F10MAPT
SCHEMBL10178932 0.82 F10 (0.61) F10MAPT
SCHEMBL12132357 0.82 F10 (0.59) F10KLKB1KCNH2

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-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-7727981-B2 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. 2009-05-21 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-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders F12, F2, PIGS F10 19/4885KLKB1 284/4885IRAK4 4136/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KLKB1 192/4885IRAK4 3920/4885

“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.