SCHEMBL5653915

SCHEMBL5653915

COc1ccc2[nH]c(-c3ccc(C(=O)NCCCN)cc3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.63
CHEK2 O96017 4/20 0.50
CDK2 P24941 1/20 0.49
IKBKE Q14164 1/20 0.49
AURKB Q96GD4 1/20 0.49
TBK1 Q9UHD2 1/20 0.49
THRB P10828 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
COMT P21964 1/20 0.48

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
SCHEMBL5653912 0.92 FLT3 (0.71) FLT3CHEK2NPC1
SCHEMBL5651447 0.86 FLT3 (0.62) FLT3THRB
SCHEMBL5651512 0.86 FLT3 (0.62) FLT3THRB
SCHEMBL5649766 0.86 FLT3 (0.62) FLT3THRB
SCHEMBL5649663 0.85 FLT3 (0.61) FLT3CDK2IKBKEAURKBTBK1
SCHEMBL5652034 0.84 FLT3 (0.58) FLT3CHEK2
SCHEMBL5651531 0.83 FLT3 (0.58) FLT3
SCHEMBL21017244 0.83 CHEK2 (0.61) FLT3CHEK2
SCHEMBL21018109 0.83 FLT3 (0.54) FLT3CHEK2NPC1RAB9A
SCHEMBL5653663 0.82 KDM4E (0.57) NPC1

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 1968/4885CHEK2 4002/4885CDK2 2148/4885

“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.