SCHEMBL6500012

SCHEMBL6500012

Cc1ccc(CN2CCNCC2)cc1NC(=O)CN1C[C@@H](C)N(c2ncc3ccsc3n2)[C@@H](C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FLT3 P36888 3/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38
ABL1 P00519 4/20 0.38
KIT P10721 4/20 0.38
BCR P11274 2/20 0.38
LRRK2 Q5S007 1/20 0.38
ACKR3 P25106 3/20 0.36
ABL2 P42684 2/20 0.36
F10 P00742 1/20 0.35
SIRT1 Q96EB6 1/20 0.34
ADRB2 P07550 1/20 0.34
DRD2 P14416 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL6336261 0.83 FLT3 (0.46) MEN1KMT2AFLT3CDK2CCNA1
SCHEMBL6336262 0.83 FLT3 (0.46) MEN1KMT2AFLT3CDK2CCNA1
SCHEMBL6498620 0.81 KCNA5 (0.41) MEN1KMT2AL3MBTL1KDM4ELMNA
SCHEMBL6498617 0.81 KCNA5 (0.41) MEN1KMT2AL3MBTL1KDM4ELMNA
SCHEMBL6502783 0.78 CDK2 (0.46) MEN1KMT2AFLT3CDK2CCNA1
SCHEMBL6496976 0.78 ALDH1A1 (0.41) MEN1KMT2ADRD2HTR2ADRD3
SCHEMBL6496972 0.78 ALDH1A1 (0.41) MEN1KMT2ADRD2HTR2ADRD3
SCHEMBL6332707 0.75 KMT2A (0.43) MEN1KMT2AFLT3CDK2CCNA1
SCHEMBL6332705 0.75 KMT2A (0.43) MEN1KMT2AFLT3CDK2CCNA1
SCHEMBL6336973 0.71 CDK2 (0.41) MEN1KMT2AFLT3CDK2CCNA1

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-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 MEN1 4164/4885KMT2A 2331/4885FLT3 803/4885

“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.