SCHEMBL4509941

SCHEMBL4509941

CN(C[C@@H](N)C1CC1)c1ccnc(-c2cc(Cl)ccc2O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
CASP3 P42574 2/20 0.36
RAB9A P51151 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
NFKB1 P19838 1/20 0.36
CDK5 Q00535 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CDK5R1 Q15078 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP19A1 P11511 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 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
SCHEMBL4509937 1.00 CDK9 (0.36) CDK9SMN1; SMN2KDM4ENPC1LMNA
SCHEMBL4509945 1.00 CDK9 (0.36) CDK9SMN1; SMN2KDM4ENPC1LMNA
SCHEMBL4516694 0.84 CDK9 (0.41) CDK9SMN1; SMN2KDM4ENPC1LMNA
SCHEMBL4516702 0.84 CDK9 (0.41) CDK9SMN1; SMN2KDM4ENPC1LMNA
SCHEMBL4516698 0.84 CDK9 (0.41) CDK9SMN1; SMN2KDM4ENPC1LMNA
SCHEMBL8227537 0.81 CDK9 (0.36) CDK9SMN1; SMN2KDM4ENPC1LMNA
SCHEMBL4512006 0.77 PRKD3 (0.48) CDK9SMN1; SMN2KDM4ENPC1LMNA
SCHEMBL4512008 0.77 PRKD3 (0.48) CDK9SMN1; SMN2KDM4ENPC1LMNA
SCHEMBL4512000 0.77 PRKD3 (0.48) CDK9SMN1; SMN2KDM4ENPC1LMNA
SCHEMBL4513264 0.74 CDK9 (0.40) CDK9SMN1; SMN2KDM4ENPC1LMNA

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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT CDK9 303/4885SMN1; SMN2 4800/4885KDM4E 757/4885

“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.