SCHEMBL4764938

SCHEMBL4764938

Cc1cc(CN2CCNCC2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.51
SIGMAR1 Q99720 1/20 0.50
MEN1 O00255 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2C P18825 1/20 0.50
CCR2 P41597 1/20 0.50
CXCL12 P48061 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 1/20 0.47
TNKS O95271 1/20 0.44
SKP2 Q13309 1/20 0.44
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL591355 0.85 CXCR4 (0.55) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL16945880 0.85 ALDH1A1 (0.55) TDP1HRH3SKP2SMN1; SMN2
SCHEMBL16178546 0.82 LMNA (0.62) LMNASKP2
SCHEMBL18970191 0.81 ALDH1A1 (0.56) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL2960118 0.81 CXCR4 (0.50) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL4974297 0.81 HTT (0.55) MEN1KMT2AHRH3LMNASMN1; SMN2
SCHEMBL19266133 0.79 CXCR4 (0.50) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL18754041 0.79 CXCR4 (0.56) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL18054026 0.77 CXCR4 (0.51) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL27508440 0.77 CXCR4 (0.51) CXCR4SIGMAR1MEN1CHRM2CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 CXCR4 78/4885SIGMAR1 4080/4885MEN1 256/4885

“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.