SCHEMBL12000577

SCHEMBL12000577

Cc1c(-c2ccccc2)noc1C1(O)ON=C2c3ccc(Br)cc3N(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
GABRA5 P31644 2/20 0.34
USP30 Q70CQ3 2/20 0.33
SCD5 Q86SK9 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CKS1B P61024 2/20 0.31
SKP1 P63208 2/20 0.31
SKP2 Q13309 2/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
BACE1 P56817 1/20 0.31
CASP1 P29466 1/20 0.31
PPARA Q07869 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL1808329 0.90 S1PR1 (0.35) RORCGABRA5USP30CCNB2CDK1
SCHEMBL11971582 0.80 S1PR1 (0.37)
SCHEMBL1804496 0.67 S1PR1 (0.52)
SCHEMBL31693867 0.60 RORC (0.47) RORCUSP30GPR119BACE1KDM1A
SCHEMBL17792475 0.60 USP30 (0.44) RORCUSP30GPR119CCNB2CDK1
SCHEMBL25072453 0.60 RORC (0.46) RORCKMT2A
SCHEMBL5423448 0.59 SCD5 (0.50) GABRA5USP30SCD5KMT2AGPR119
SCHEMBL25072455 0.59 ALDH1A1 (0.39) RORCKMT2A
SCHEMBL29829118 0.59 ABHD6 (0.42) GABRA5USP30KMT2AGPR119CCNB2
SCHEMBL1815751 0.59 ABHD6 (0.42) GABRA5USP30KMT2AGPR119CCNB2

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-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R RORC 581/4885GABRA5 2013/4885USP30 4013/4885

“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.