SCHEMBL21709415

SCHEMBL21709415

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c4)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
WHR1 P49842 1/20 0.35
PDK1 Q15118 1/20 0.35
ABCG2 Q9UNQ0 4/20 0.35
CYP1A2 P05177 6/20 0.34
CYP3A4 P08684 6/20 0.34
CYP2D6 P10635 5/20 0.34
CYP2C19 P33261 5/20 0.34
CYP2C9 P11712 5/20 0.34
TSHR P16473 4/20 0.34
LMNA P02545 3/20 0.34
PDE5A O76074 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
RECQL P46063 1/20 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
SCHEMBL21709390 0.98 MEN1 (0.41) MEN1KMT2AATMWHR1PDK1
SCHEMBL21709268 0.94 MEN1 (0.41) MEN1KMT2AATMWHR1PDK1
SCHEMBL23605092 0.93 MEN1 (0.37) MEN1KMT2AATMWHR1PDK1
SCHEMBL21709298 0.90 MEN1 (0.35) MEN1KMT2AATMWHR1PDK1
SCHEMBL21709384 0.89 MEN1 (0.38) MEN1KMT2AATMWHR1PDK1
SCHEMBL17752891 0.88 PDK2 (0.31) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL18717812 0.88 MEN1 (0.48) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL21709388 0.88 MEN1 (0.37) MEN1KMT2AATMWHR1PDK1
SCHEMBL24255629 0.87 MEN1 (0.32) MEN1KMT2AATMNUDT1
SCHEMBL21709322 0.87 MEN1 (0.41) MEN1KMT2AATMWHR1PDK1

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.