SCHEMBL6502783

SCHEMBL6502783

Cc1ccc(CN2CCNCC2)cc1NC(=O)CN1CC2CCC(C1)N2c1ncnc2sccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.46
FLT3 P36888 6/20 0.46
CCNA1 P78396 6/20 0.46
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CDK6 Q00534 2/20 0.40
CCNK O75909 1/20 0.40
CDK1 P06493 1/20 0.40
FLT1 P17948 1/20 0.40
CCNE1 P24864 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
CDK9 P50750 1/20 0.40
ALK Q9UM73 1/20 0.40
HTR2C P28335 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ACKR3 P25106 2/20 0.35

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
SCHEMBL6336262 0.93 FLT3 (0.46) CDK2FLT3CCNA1CDK4CCND1
SCHEMBL6336261 0.93 FLT3 (0.46) CDK2FLT3CCNA1CDK4CCND1
SCHEMBL27574761 0.82 HTR2C (0.45) CDK2FLT3CCNA1CDK6HTR2C
SCHEMBL6332705 0.81 KMT2A (0.43) CDK2FLT3CCNA1HTR2CMEN1
SCHEMBL6332707 0.81 KMT2A (0.43) CDK2FLT3CCNA1HTR2CMEN1
SCHEMBL27572764 0.80 HTR2C (0.37) CDK2FLT3CCNA1KDRHTR2C
SCHEMBL6336973 0.80 CDK2 (0.41) CDK2FLT3CCNA1CDK4CCND1
SCHEMBL6334344 0.79 HRH3 (0.38) KDRHTR2CNR2F2
SCHEMBL6334345 0.79 HRH3 (0.38) KDRHTR2CNR2F2
SCHEMBL6500012 0.78 MEN1 (0.39) CDK2FLT3CCNA1HTR2CMEN1

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 CDK2 719/4885FLT3 803/4885CCNA1 1655/4885

“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.