SCHEMBL3563371

SCHEMBL3563371

CN1CCN=C1c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.49
FPR2 P25090 2/20 0.42
ROCK2 O75116 4/20 0.41
EP300 Q09472 5/20 0.41
F10 P00742 3/20 0.41
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
UTS2R Q9UKP6 1/20 0.39

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
SCHEMBL3561245 0.91 ROCK2 (0.41) CNR1ROCK2EP300F10UTS2R
SCHEMBL3570136 0.90 EP300 (0.48) CNR1FPR2EP300F10UTS2R
SCHEMBL3565027 0.90 EP300 (0.48) CNR1FPR2EP300F10UTS2R
SCHEMBL3564096 0.90 EP300 (0.48) CNR1FPR2EP300F10UTS2R
SCHEMBL3574004 0.86 ROCK2 (0.46) CNR1ROCK2EP300F10UTS2R
SCHEMBL3569137 0.85 F10 (0.40) CNR1FPR2ROCK2EP300F10
SCHEMBL3565555 0.85 F10 (0.43) CNR1EP300F10UTS2R
SCHEMBL3562900 0.84 LMNA (0.45) CNR1FPR2EP300F10MEN1
SCHEMBL8263579 0.84 KMT2A (0.48) CNR1MEN1POLBKMT2A
SCHEMBL3558912 0.83 F10 (0.45) CNR1FPR2EP300F10UTS2R

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
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US claimed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US claimed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 CNR1 1500/4885FPR2 2332/4885ROCK2 3506/4885

“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.