SCHEMBL5651989

SCHEMBL5651989

COc1cc(C(=O)NCCCN)ccc1-c1nc2cc(Br)c(C)c(C)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.45
LRRK2 Q5S007 1/20 0.42
SUV39H2 Q9H5I1 1/20 0.40
CDK2 P24941 1/20 0.40
IKBKE Q14164 1/20 0.40
AURKB Q96GD4 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
BRD4 O60885 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTAFR P25105 1/20 0.38

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
SCHEMBL5649910 0.91 FLT3 (0.42) FLT3BRD4KMT2A
SCHEMBL5653312 0.90 FLT3 (0.46) FLT3KDM4E
SCHEMBL5652607 0.89 FLT3 (0.45) FLT3
SCHEMBL5651507 0.88 FLT3 (0.45) FLT3
SCHEMBL5653197 0.88 PRMT5 (0.48) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL5651998 0.86 FLT3 (0.45) FLT3LRRK2SUV39H2BRD4POLB
SCHEMBL5651707 0.84 CYP2D6 (0.59) CDK2ALDH1A1MEN1KMT2A
SCHEMBL5651885 0.84 FLT3 (0.45) FLT3CDK2IKBKEAURKBTBK1
SCHEMBL5649725 0.84 FLT3 (0.46) FLT3LRRK2SUV39H2BRD4ALDH1A1
SCHEMBL5651321 0.82 FLT3 (0.46) FLT3LRRK2SUV39H2BRD4ROCK2

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 1968/4885LRRK2 2726/4885SUV39H2 304/4885

“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.