SCHEMBL5651885

SCHEMBL5651885

Cc1c(Br)cc2nc(-c3ccc(C(=O)NCCCN)cc3)[nH]c2c1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.45
IKBKE Q14164 3/20 0.45
TBK1 Q9UHD2 3/20 0.45
CDK2 P24941 1/20 0.45
AURKB Q96GD4 1/20 0.45
MAPK8 P45983 1/20 0.43
PRSS12 P56730 1/20 0.40
ATR Q13535 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL5653312 0.88 FLT3 (0.46) FLT3
SCHEMBL5652607 0.87 FLT3 (0.45) FLT3
SCHEMBL5651507 0.86 FLT3 (0.45) FLT3
SCHEMBL5652549 0.86 HDAC6 (0.44) IKBKETBK1CDK2AURKBHDAC6
SCHEMBL5651989 0.84 FLT3 (0.45) FLT3IKBKETBK1CDK2AURKB
SCHEMBL5651895 0.84 MAPK8 (0.45) FLT3IKBKETBK1CDK2AURKB
SCHEMBL5652999 0.82 TSHR (0.56) IKBKETBK1
SCHEMBL5649910 0.82 FLT3 (0.42) FLT3
SCHEMBL5652427 0.80 MAPK8 (0.47) FLT3IKBKETBK1CDK2AURKB
SCHEMBL5649669 0.77 MAPK8 (0.48) FLT3IKBKETBK1CDK2AURKB

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-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 FLT3 1968/4885IKBKE 214/4885TBK1 3220/4885

“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.