SCHEMBL21620481

SCHEMBL21620481

COc1nc(N)c(N=O)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
CCR4 P51679 1/20 0.31
KDM4E B2RXH2 4/20 0.31
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
MEN1 O00255 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
SCHEMBL30558711 0.77 POLB (0.39) CCNA2CDK2CCNA1POLBL3MBTL1
SCHEMBL25378985 0.77 POLB (0.39) CCNA2CDK2CCNA1POLBL3MBTL1
SCHEMBL23832162 0.76 POLB (0.47) CCNA2CDK2CCNA1POLBL3MBTL1
SCHEMBL25300381 0.75 KDM4E (0.53) CDK2POLBKDM4EP2RX3P2RX2
SCHEMBL26927378 0.73 GSK3A (0.39) POLBL3MBTL1GSK3AGSK3BDYRK1A
SCHEMBL16914277 0.73 POLB (0.35) CCNA2CDK2CCNA1POLBL3MBTL1
SCHEMBL31500457 0.73 GSK3A (0.39) POLBL3MBTL1GSK3AGSK3BDYRK1A
SCHEMBL24291812 0.71 HSD17B10 (0.47) POLBKDM4EP2RX3P2RX2MAPT
SCHEMBL29656639 0.71 HSD17B10 (0.47) POLBKDM4EP2RX3P2RX2MAPT
SCHEMBL21620483 0.70 ALDH1A1 (0.41) CCNA2CDK2CCNA1KDM4EMAPT

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-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 US disclosed
WO-2020012357-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2020-01-16 WO 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-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK CCNA2 1605/4885CDK2 408/4885CCNA1 1214/4885

“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.