SCHEMBL478524

SCHEMBL478524

CC(C)(C)OC(=O)N1CCCC(C[C@H](NC(=O)OCc2ccccc2)c2cc(-c3ccc(N)cc3)c(=O)[nH]n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.43
PARP1 P09874 1/20 0.42
PRMT5 O14744 3/20 0.40
ACKR3 P25106 1/20 0.39
HTR6 P50406 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KAT7 O95251 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NTSR1 P30989 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP30 Q70CQ3 1/20 0.37
CTSL P07711 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 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
SCHEMBL478527 1.00 BTK (0.43) BTKPARP1PRMT5ACKR3HTR6
SCHEMBL478434 0.92 F11 (0.42) BTKPARP1PRMT5ACKR3HTR6
SCHEMBL478437 0.92 F11 (0.42) BTKPARP1PRMT5ACKR3HTR6
SCHEMBL478889 0.91 PARP1 (0.40) BTKPARP1PRMT5ACKR3HTR6
SCHEMBL478888 0.91 PARP1 (0.40) BTKPARP1PRMT5ACKR3HTR6
SCHEMBL479026 0.80 F11 (0.43) PARP1PRMT5L3MBTL1MAPTMAPK1
SCHEMBL479027 0.80 F11 (0.43) PARP1PRMT5L3MBTL1MAPTMAPK1
SCHEMBL478588 0.76 F11 (0.61)
SCHEMBL478587 0.76 F11 (0.61)
SCHEMBL478586 0.76 F11 (0.61)

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 BTK 768/4885PARP1 1091/4885PRMT5 1452/4885

“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.