SCHEMBL478543

SCHEMBL478543

COC(=O)Cn1nc(C(N)Cc2ccccc2)cc(-c2ccc(NC(=O)OC)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
F11 P03951 15/20 0.41
KLKB1 P03952 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
F9 P00740 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL478541 1.00 TSHR (0.42) TSHRFPR1FPR2F11KLKB1
SCHEMBL478616 0.94 FPR1 (0.42) FPR1FPR2F11KLKB1PRSS1
SCHEMBL478615 0.94 FPR1 (0.42) FPR1FPR2F11KLKB1PRSS1
SCHEMBL938641 0.84 F11 (0.44) TSHRF11KLKB1PRSS1PRSS2
SCHEMBL938642 0.84 F11 (0.44) TSHRF11KLKB1PRSS1PRSS2
SCHEMBL478893 0.79 F11 (0.42) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478894 0.79 F11 (0.42) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL479341 0.79 F11 (0.53) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL479338 0.79 F11 (0.53) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478708 0.79 F11 (0.51) F11KLKB1PRSS1PRSS2PRSS3

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 TSHR 1896/4885FPR1 438/4885FPR2 397/4885

“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.