SCHEMBL21709498

SCHEMBL21709498

CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc34)cccc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
PTPRF P10586 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PDK1 Q15118 1/20 0.31
WHR1 P49842 1/20 0.31

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
SCHEMBL21709479 0.94 KMT2A (0.37) MEN1KMT2AATMPDK1
SCHEMBL21709427 0.93 MEN1 (0.36) MEN1KMT2AATMPDK1WHR1
SCHEMBL21709332 0.93 KMT2A (0.38) MEN1KMT2AATMPDK1WHR1
SCHEMBL21709472 0.91 MEN1 (0.32) MEN1KMT2AATM
SCHEMBL21709333 0.89 MEN1 (0.34) MEN1KMT2AATMPDK1WHR1
SCHEMBL21709325 0.89 MEN1 (0.34) MEN1KMT2AATMPDK1WHR1
SCHEMBL21709383 0.89 MEN1 (0.38) MEN1KMT2AATMPDK1WHR1
SCHEMBL21709311 0.89 MEN1 (0.35) MEN1KMT2AATMPDK1WHR1
SCHEMBL21709314 0.89 KMT2A (0.37) MEN1KMT2AATMPDK1
SCHEMBL24969264 0.88 PTPRF (0.33) PTPRFPTPN2PTPN1

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-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES MERCK PATENT GMBH (DE) 2020-02-13 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-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES DDT, NAT1, INMT MEN1 2014/4885KMT2A 242/4885ATM 3544/4885

“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.