SCHEMBL478790

SCHEMBL478790

CC(C)(C)CSCC(N)c1cc(-c2ccc(NC(=O)O)cc2)c(=O)[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 3/20 0.34
F11 P03951 1/20 0.33
KDR P35968 7/20 0.33
PDGFRA P16234 3/20 0.33
FGFR1 P11362 2/20 0.33
SLC1A3 P43003 3/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 3/20 0.33
ROCK1 Q13464 3/20 0.32
KIT P10721 5/20 0.32
FLT3 P36888 3/20 0.32
JAK2 O60674 1/20 0.31
ROCK2 O75116 2/20 0.31
HDAC1 Q13547 1/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
DYRK3 O43781 1/20 0.31
RPS6KA5 O75582 1/20 0.31
RPS6KA4 O75676 1/20 0.31
PRKD3 O94806 1/20 0.31

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
SCHEMBL3414000 0.78 CIT (0.36) CITKDRPDGFRAFGFR1SLC1A3
SCHEMBL479119 0.73 F11 (0.44) CITF11KDRSLC1A3SLC1A2
SCHEMBL479122 0.73 F11 (0.44) CITF11KDRSLC1A3SLC1A2
SCHEMBL478660 0.72 F11 (0.36) F11KDRPDGFRAFGFR1ROCK1
SCHEMBL478760 0.71 F11 (0.69) F11
SCHEMBL479338 0.71 F11 (0.53) CITF11ROCK1ROCK2
SCHEMBL479341 0.71 F11 (0.53) CITF11ROCK1ROCK2
SCHEMBL478746 0.65 F11 (0.46) F11HDAC1MAP4K4
SCHEMBL478745 0.65 F11 (0.46) F11HDAC1MAP4K4
SCHEMBL478515 0.65 PTPN2 (0.44)

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 5 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
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 CIT 3035/4885F11 1/4885KDR 492/4885

“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.