SCHEMBL3574164

SCHEMBL3574164

CN1CCN=C1c1ccc(NC(=O)C(Cc2c[nH]cn2)N(C(N)=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.40
ROCK2 O75116 6/20 0.34
LIMK1 P53667 3/20 0.33
ROCK1 Q13464 1/20 0.33
KLK1 P06870 1/20 0.32
MAPT P10636 1/20 0.32
EP300 Q09472 5/20 0.32

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
SCHEMBL3566368 0.85 F10 (0.42) F10ROCK2MAPTEP300
SCHEMBL3563906 0.85 F10 (0.40) F10ROCK2KLK1MAPTEP300
SCHEMBL3562609 0.84 F10 (0.40) F10MAPTEP300
SCHEMBL3564282 0.83 F10 (0.39) F10ROCK2KLK1MAPTEP300
SCHEMBL3557893 0.82 F10 (0.39) F10KLK1MAPTEP300
SCHEMBL3574011 0.82 F10 (0.39) F10ROCK2KLK1MAPTEP300
SCHEMBL3569851 0.82 F10 (0.39) F10KLK1MAPTEP300
SCHEMBL3563374 0.82 F10 (0.39) F10ROCK2KLK1MAPTEP300
SCHEMBL3566095 0.82 HDAC8 (0.43) F10
SCHEMBL3574167 0.82 F10 (0.42) F10ROCK2KLK1

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-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-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 F10 9/4885ROCK2 3506/4885LIMK1 3660/4885

“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.