SCHEMBL2284708

SCHEMBL2284708

Fc1ccc(-c2cc3ncccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.61
CDK1 P06493 4/20 0.61
CCNB1 P14635 4/20 0.61
CCNB3 Q8WWL7 4/20 0.61
GSK3A P49840 3/20 0.61
GSK3B P49841 3/20 0.61
CDK5 Q00535 2/20 0.61
CDK5R1 Q15078 2/20 0.61
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DAO P14920 1/20 0.45
ATAD2 Q6PL18 1/20 0.45
MAPK14 Q16539 4/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6489332 0.84 CCNB2 (0.61) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL2289799 0.83 DAO (0.47) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL29913067 0.76 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL491029 0.76 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL23207344 0.75 QPCT (0.55) KDM4ENPC1RAB9ASMN1; SMN2DAO
SCHEMBL25248466 0.74 DAO (0.53) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL7892114 0.73 RIPK1 (0.71) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL22102705 0.72 NR4A2 (0.42) CCNB2CDK1CCNB1CCNB3NPC1
SCHEMBL2061664 0.72 RAB9A (0.71) CTSVCTSLKDM4ENPC1RAB9A
SCHEMBL29496847 0.72 RAB9A (0.71) CTSVCTSLKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 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-20110207732-A1 AZAINDOLE DERIVATIVES AZI2, ABL1, RET CCNB2 265/4885CDK1 32/4885CCNB1 214/4885

“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.