SCHEMBL4511291

SCHEMBL4511291

CC[C@H](N)CNc1nc(-c2cc(-c3ccc(F)cc3F)ccc2O)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 7/20 0.45
CHEK1 O14757 6/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ACP1 P24666 1/20 0.42
EGFR P00533 2/20 0.42
MAPT P10636 3/20 0.41
PRKD3 O94806 2/20 0.40
PRKD1 Q15139 2/20 0.40
PRKD2 Q9BZL6 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4511284 1.00 CHEK2 (0.45) CHEK2CHEK1LMNASMN1; SMN2MEN1
SCHEMBL4511294 1.00 CHEK2 (0.45) CHEK2CHEK1LMNASMN1; SMN2MEN1
SCHEMBL4514821 0.92 MAPT (0.49) CHEK2CHEK1LMNASMN1; SMN2MEN1
SCHEMBL4514828 0.92 MAPT (0.49) CHEK2CHEK1LMNASMN1; SMN2MEN1
SCHEMBL4514830 0.92 MAPT (0.49) CHEK2CHEK1LMNASMN1; SMN2MEN1
SCHEMBL4511784 0.92 MEN1 (0.46) CHEK2CHEK1LMNAMEN1KMT2A
SCHEMBL4511790 0.92 MEN1 (0.46) CHEK2CHEK1LMNAMEN1KMT2A
SCHEMBL4511786 0.92 MEN1 (0.46) CHEK2CHEK1LMNAMEN1KMT2A
SCHEMBL4521146 0.91 CHEK2 (0.52) CHEK2CHEK1LMNASMN1; SMN2MEN1
SCHEMBL4521149 0.91 CHEK2 (0.52) CHEK2CHEK1LMNASMN1; SMN2MEN1

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 CHEK2 606/4885CHEK1 1030/4885LMNA 2132/4885

“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.