SCHEMBL4509552

SCHEMBL4509552

Cc1cc(NCC(C)N)nc(-c2cc(Cl)ccc2O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 13/20 0.51
▸ MEN1 O00255 12/20 0.51
▸ KDM4E B2RXH2 7/20 0.48
▸ HPGD P15428 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 4/20 0.48
▸ CDK9 P50750 4/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ CASP3 P42574 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SENP7 Q9BQF6 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL4509543 1.00 KMT2A (0.51) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL4498417 0.88 KMT2A (0.49) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL4498405 0.88 KMT2A (0.49) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL4498411 0.88 KMT2A (0.49) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL4049086 0.83 PRKD3 (0.51) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL4049096 0.83 PRKD3 (0.51) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL4497324 0.77 CDK9 (0.47) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL4497320 0.77 CDK9 (0.47) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL4497328 0.77 CDK9 (0.47) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL4509540 0.77 CDK9 (0.52) KMT2AMEN1KDM4EHPGDALDH1A1

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 KMT2A 230/4885MEN1 4237/4885KDM4E 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.

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