SCHEMBL8306336

SCHEMBL8306336

Cc1ccc(-n2ccncc2=O)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.43
MAP3K5 Q99683 1/20 0.38
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
NR3C2 P08235 1/20 0.35
AOC3 Q16853 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNH2 Q12809 1/20 0.34
CYP2A6 P11509 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MAPT P10636 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CCR1 P32246 1/20 0.33
CCR2 P41597 1/20 0.33
HPD P32754 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32
PDE4B Q07343 1/20 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
SCHEMBL8306334 0.84 MAPK14 (0.47) MAPK14NPSR1MAPT
SCHEMBL8306420 0.82 MAPK14 (0.43) MAPK14CYP2A6HPD
SCHEMBL14502105 0.78 MAPK14 (0.40) MAPK14FLT1KDRCYP2A6MAPT
SCHEMBL8306550 0.76 MAP3K5 (0.40) MAP3K5NPSR1MAP2K2MAP2K1MAPT
SCHEMBL8266914 0.75 F2 (0.42) MAPK14NPSR1CYP2A6MAPT
SCHEMBL8262170 0.74 CYP3A4 (0.45) MAPK14AOC3KCNH2CYP2A6MAPT
SCHEMBL16941401 0.71 CYP19A1 (0.45) MAPT
SCHEMBL22601569 0.70 MAP3K5 (0.45) MAP3K5NPSR1MAP2K2MAP2K1MAPT
SCHEMBL8311544 0.69 ALDH1A1 (0.46) MAP3K5NPSR1MAP2K2MAP2K1FFAR4
SCHEMBL8306571 0.69 MAP3K5 (0.39) MAP3K5NPSR1MAP2K2MAP2K1FFAR4

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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD MAPK14 2758/4885MAP3K5 3042/4885FLT1 3155/4885

“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.