SCHEMBL12270684

SCHEMBL12270684

Cc1ccc(B(OCc2ccccn2)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.45
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
AHR P35869 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PLK1 P53350 1/20 0.38
MAPT P10636 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
PTPN1 P18031 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SORT1 Q99523 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36

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
SCHEMBL12318716 0.93 NPC1 (0.46) AHRNPC1RAB9APLK1MAPT
SCHEMBL12266351 0.88 SYK (0.50) SYKAURKBINCENPNPC1RAB9A
SCHEMBL1187407 0.79 RAB9A (0.45) SYKAURKBINCENPRAB9AMAPT
SCHEMBL12270615 0.79 SYK (0.48) SYKAURKBINCENPGABRA1GABRG2
SCHEMBL12319351 0.79 KDM4E (0.43) SYKAURKBINCENPNPC1RAB9A
SCHEMBL12270755 0.77 SYK (0.51) SYKAURKBINCENPNPC1RAB9A
SCHEMBL12266370 0.76 SYK (0.42) SYKAURKBINCENPMAPTGABRA1
SCHEMBL1186729 0.76 SMN1; SMN2 (0.49) SYKNPC1RAB9AMAPTNPSR1
SCHEMBL12266314 0.74 TSHR (0.45) SYKAURKBINCENPNPC1RAB9A
SCHEMBL12270737 0.73 TLR7 (0.48) AHRNPC1RAB9AMAPTTLR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 SYK 1787/4885AURKB 979/4885INCENP 3368/4885

“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.