SCHEMBL4516589

SCHEMBL4516589

CC(C)[C@H](N)CNc1nc(-c2cc(Cl)ccc2O)nc2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
CASP3 P42574 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
NFKB1 P19838 1/20 0.46
CDK5 Q00535 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CDK5R1 Q15078 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PAK4 O96013 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4516583 1.00 CDK9 (0.46) CDK9KDM4ENPC1LMNACASP3
SCHEMBL4516590 1.00 CDK9 (0.46) CDK9KDM4ENPC1LMNACASP3
SCHEMBL4521350 0.92 CDK9 (0.46) CDK9KDM4ENPC1LMNACASP3
SCHEMBL4521343 0.92 CDK9 (0.46) CDK9KDM4ENPC1LMNACASP3
SCHEMBL4516776 0.91 ALK (0.49) LMNASMN1; SMN2PAK4MEN1KMT2A
SCHEMBL4516773 0.91 ALK (0.49) LMNASMN1; SMN2PAK4MEN1KMT2A
SCHEMBL4513792 0.91 CHEK2 (0.52) CDK9KDM4ENPC1LMNACASP3
SCHEMBL4513799 0.91 CHEK2 (0.52) CDK9KDM4ENPC1LMNACASP3
SCHEMBL4516771 0.91 ALK (0.49) LMNASMN1; SMN2PAK4MEN1KMT2A
SCHEMBL4513797 0.91 CHEK2 (0.52) CDK9KDM4ENPC1LMNACASP3

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 303/4885KDM4E 757/4885NPC1 2868/4885

“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.