SCHEMBL4418014

SCHEMBL4418014

CN(C)c1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)Nc2ccc(C(=N)N)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 1.00
F2 P00734 6/20 0.52
TMPRSS6 Q8IU80 4/20 0.52
F10 P00742 1/20 0.48
KDM1A O60341 1/20 0.47
MMP1 P03956 2/20 0.46
ANPEP P15144 1/20 0.46
KLKB1 P03952 1/20 0.46
FPR2 P25090 1/20 0.45
MMP3 P08254 1/20 0.45
MASP2 O00187 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
NAMPT P43490 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
SCHEMBL29687042 0.80 F7 (0.66) F7FPR2MMP3
SCHEMBL6407136 0.79 F7 (0.64) F7MMP1ANPEPKLKB1
SCHEMBL4423265 0.77 F7 (1.00) F7F2F10NAMPT
SCHEMBL6376248 0.77 F7 (0.62) F7MMP1FPR2
SCHEMBL6376414 0.77 F7 (0.62) F7MMP1FPR2
SCHEMBL6376244 0.77 F7 (0.62) F7MMP1FPR2
SCHEMBL4416134 0.76 F7 (0.80) F7F2MASP2
SCHEMBL4422603 0.76 F7 (0.61) F7F2FPR2ITGB3ITGA2B
SCHEMBL5160205 0.74 F7 (0.59) F7MMP1ANPEPKLKB1
SCHEMBL7947333 0.74 TACR2 (0.63) F7ANPEPKLKB1FPR2NAMPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
US-6743790-B2 A UREA OR THIOUREA DERIVATIVES CONTAINING AMIDE GROUP USEFUL AS ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
EP-1299354-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2003-04-09 EP disclosed
US-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-05-02 US disclosed
WO-2001094301-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-13 WO disclosed
EP-1162194-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use Aventis Pharma Deutschland GmbH (DE) 2001-12-12 EP 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-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use F7, F9, F5 F7 1/4885F2 15/4885TMPRSS6 193/4885

“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.