SCHEMBL13348779

SCHEMBL13348779

Bc1ccc(NC(=O)c2cc(F)ccc2NC(=O)c2ccc(C(=N)NC)cc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.60
KCNH2 Q12809 4/20 0.49
KDM4E B2RXH2 1/20 0.46
KLKB1 P03952 2/20 0.45
F2 P00734 1/20 0.45

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
SCHEMBL13348849 0.91 F10 (0.54) F10KCNH2F2
SCHEMBL12134452 0.89 KDM4E (0.62) F10KCNH2KDM4E
SCHEMBL10146317 0.88 F10 (0.77) F10KCNH2KLKB1F2
SCHEMBL10146381 0.88 F10 (0.60) F10KCNH2KDM4E
SCHEMBL12134292 0.88 F10 (0.61) F10KCNH2KLKB1
SCHEMBL13348780 0.87 F10 (0.79) F10KCNH2F2
SCHEMBL14404272 0.85 F10 (0.58) F10KCNH2KLKB1
SCHEMBL10181281 0.83 F10 (0.68) F10KCNH2
SCHEMBL10181393 0.83 F10 (0.68) F10KCNH2
SCHEMBL12134454 0.82 F10 (0.62) F10KCNH2

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 3 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-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-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 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 19/4885KCNH2 2996/4885KDM4E 3365/4885

“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.