SCHEMBL479134

SCHEMBL479134

COC(=O)Nc1ccc(-c2cc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(F)c3)nnc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 6/20 0.43
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
JAK2 O60674 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 3/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.37

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
SCHEMBL478974 0.91 F11 (0.42) F11ROCK2ROCK1ALDH1A1NPSR1
SCHEMBL478977 0.85 ROCK2 (0.41) F11ROCK2ROCK1CDC42BPAHDAC1
SCHEMBL479133 0.84 F11 (0.60) F11ALDH1A1NPSR1JAK2TP53
SCHEMBL478713 0.81 F11 (0.40) F11ROCK2ROCK1ALDH1A1NPSR1
SCHEMBL478944 0.81 F11 (0.40) F11ROCK2ROCK1ALDH1A1NPSR1
SCHEMBL478830 0.81 PTPRB (0.40) F11ROCK2ROCK1ALDH1A1NPSR1
SCHEMBL478844 0.80 MAPT (0.39) F11ROCK2ROCK1ALDH1A1NPSR1
SCHEMBL3413919 0.80 F11 (0.39) F11ROCK2ROCK1HDAC1HDAC6
SCHEMBL478469 0.78 F11 (0.38) F11ROCK2ROCK1ALDH1A1NPSR1
SCHEMBL479040 0.78 AAK1 (0.38) F11ROCK2ROCK1HDAC1ALDH1A1

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-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 F11 1/4885ROCK2 596/4885ROCK1 590/4885

“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.