SCHEMBL13313645

SCHEMBL13313645

CNC(=N)c1ccc(CNc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.61
KLKB1 P03952 5/20 0.54
KCNH2 Q12809 3/20 0.51

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
SCHEMBL10178927 0.88 F10 (0.78) F10KCNH2
SCHEMBL10146317 0.88 F10 (0.77) F10KLKB1KCNH2
SCHEMBL12132956 0.87 F10 (0.64) F10
SCHEMBL10180283 0.84 F10 (0.68) F10KCNH2
SCHEMBL10181231 0.84 F10 (0.68) F10KCNH2
SCHEMBL10178718 0.84 F10 (0.68) F10KCNH2
SCHEMBL10146437 0.83 F10 (0.69) F10KCNH2
SCHEMBL19853573 0.82 F10 (0.69) F10KLKB1KCNH2
SCHEMBL12045550 0.80 F10 (0.68) F10KLKB1KCNH2
SCHEMBL10179006 0.80 F10 (0.77) 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-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-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
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 (1 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 284/4885KCNH2 2996/4885

“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.