SCHEMBL479189

SCHEMBL479189

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 8/20 0.51
ROCK2 O75116 2/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL478910 0.88 F11 (0.48) F11ROCK2PDE3BPDE3ANPC1
SCHEMBL479089 0.88 F11 (0.50) F11ROCK2PDE3BPDE3ANPC1
SCHEMBL478460 0.87 F11 (0.47) F11ROCK2PDE3BPDE3ANPC1
SCHEMBL478793 0.86 SYK (0.48) F11ROCK2PDE3BPDE3ANPC1
SCHEMBL478956 0.83 F11 (0.47) F11ROCK2PDE3BPDE3ANPC1
SCHEMBL479154 0.82 F11 (0.51) F11ROCK2PDE3BPDE3ASMN1; SMN2
SCHEMBL478811 0.81 F11 (0.58) F11RAB9AKLKB1PRSS1PRSS2
SCHEMBL479338 0.81 F11 (0.53) F11ROCK2NPC1RAB9ASMN1; SMN2
SCHEMBL479341 0.81 F11 (0.53) F11ROCK2NPC1RAB9ASMN1; SMN2
SCHEMBL479026 0.80 F11 (0.43) F11PDE3BPDE3AKLKB1PRSS1

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 1/4885ROCK2 596/4885PDE3B 2861/4885

“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.