SCHEMBL478793

SCHEMBL478793

COC(=O)Nc1ccc(-c2cc([C@H](CNC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3)n[nH]c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
F11 P03951 4/20 0.47
MAPT P10636 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
MAPK1 P28482 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ROCK2 O75116 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
JAK2 O60674 1/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPRB P23467 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 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
SCHEMBL478460 0.91 F11 (0.47) SYKF11PDE3BPDE3AROCK2
SCHEMBL479089 0.90 F11 (0.50) F11PDE3BPDE3AROCK2FLT1
SCHEMBL479154 0.87 F11 (0.51) SYKF11MAPTTDP1PDE3B
SCHEMBL478910 0.86 F11 (0.48) F11PDE3BPDE3AROCK2FLT1
SCHEMBL479189 0.86 F11 (0.51) F11MAPTPDE3BPDE3AROCK2
SCHEMBL478811 0.86 F11 (0.58) F11MAPTNPSR1RAB9APTPRB
SCHEMBL479026 0.82 F11 (0.43) F11MAPTMAPK1PDE3BPDE3A
SCHEMBL479027 0.82 F11 (0.43) F11MAPTMAPK1PDE3BPDE3A
SCHEMBL478434 0.82 F11 (0.42) F11PDE3BPDE3ABACE1
SCHEMBL478437 0.82 F11 (0.42) F11PDE3BPDE3ABACE1

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 SYK 1300/4885F11 1/4885MAPT 774/4885

“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.