SCHEMBL478958

SCHEMBL478958

COC(=O)Nc1ccc(-c2cc(C[C@@H](NC(=O)OCc3ccccc3)N3CCOC3=O)n[nH]c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 9/20 0.42
PRKDC P78527 1/20 0.40
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ROCK2 O75116 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35

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
SCHEMBL478956 0.81 F11 (0.47) F11PRKDCFLT1KDRFLT3
SCHEMBL478912 0.81 F11 (0.44) F11FLT1KDRFLT3PDE3B
SCHEMBL478462 0.79 F11 (0.42) F11FLT1KDRFLT3PDE3B
SCHEMBL479189 0.74 F11 (0.51) F11PDE3BPDE3AROCK2NPC1
SCHEMBL478910 0.73 F11 (0.48) F11FLT1KDRFLT3PDE3B
SCHEMBL479155 0.72 PDE3B (0.43) F11FLT1KDRFLT3PDE3B
SCHEMBL479190 0.72 ROCK2 (0.41) F11FLT1KDRFLT3PDE3B
SCHEMBL479089 0.71 F11 (0.50) F11FLT1KDRFLT3PDE3B
SCHEMBL479090 0.71 FLT1 (0.43) F11FLT1KDRFLT3PDE3B
SCHEMBL478460 0.70 F11 (0.47) F11FLT1KDRFLT3PDE3B

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 1/4885PRKDC 2160/4885FLT1 149/4885

“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.