SCHEMBL20152875

SCHEMBL20152875

C=Cc1nc2cc(C)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MCL1 Q07820 1/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
POLB P06746 1/20 0.38
NQO2 P16083 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL11586101 0.85 MAPT (0.61) KMT2AMAPTMEN1KDM4ECACNA1B
SCHEMBL16924488 0.82 MAPT (0.44) KMT2AMAPTMEN1KDM4ECACNA1B
SCHEMBL30181358 0.82 MAPT (0.44) KMT2AMAPTMEN1KDM4ECACNA1B
Hydrochloric Acid SCHEMBL29956249 0.81 MAPT (0.43) KMT2AMAPTMEN1KDM4ECACNA1B
SCHEMBL10300865 0.81 MAPT (0.51) KMT2AMAPTMEN1KDM4ECACNA1B
SCHEMBL28476316 0.79 MAPKAPK2 (0.45) KMT2AMAPTMEN1KDM4ECACNA1B
SCHEMBL22075877 0.79 MAPT (0.43) KMT2AMAPTMEN1KDM4ECACNA1B
Ethylene Glycol SCHEMBL9867036 0.78 KMT2A (0.53) KMT2AMAPTMEN1KDM4ECACNA1B
SCHEMBL22075580 0.78 ATM (0.72) KMT2AMAPTMEN1KDM4ECACNA1B
SCHEMBL5117076 0.77 MAPT (0.50) KMT2AMAPTMEN1KDM4ECACNA1B

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-20180134745-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2018-05-17 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-20180134745-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS DOT1L, MECP2, TDP1 KMT2A 1101/4885MAPT 556/4885MEN1 3495/4885

“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.