SCHEMBL9910063

SCHEMBL9910063

CC(C)(C)n1ccc2ncccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PSMB5 P28074 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMB1 P20618 3/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
DRD2 P14416 1/20 0.39
ACVR1 Q04771 1/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NCOA1 Q15788 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
SCHEMBL21931155 0.80 MAPT (0.44) MAPTKDM4EMEN1KMT2AHTR2A
SCHEMBL30529323 0.77 ACVR1 (0.50) MAPTKDM4EPSMB5NPSR1PSMB1
SCHEMBL1623538 0.77 ACVR1 (0.50) MAPTKDM4EPSMB5NPSR1PSMB1
SCHEMBL122153 0.76 POLB (0.51) KDM4EMEN1KMT2ATSHR
SCHEMBL12575038 0.75 RPS6KA5 (0.52)
SCHEMBL21363616 0.75 IDO1 (0.40) KDM4ENPSR1MEN1KMT2ALMNA
SCHEMBL12702856 0.73 PSMB5 (0.53) MAPTKDM4EPSMB5NPSR1PSMB1
SCHEMBL21931157 0.73 MAPT (0.44) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL3402123 0.73 PSMB5 (0.53) MAPTKDM4EPSMB5PSMB1HTR1A
SCHEMBL3971069 0.73 KDM4E (0.44) MAPTKDM4EPSMB5NPSR1MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834689-B2 Incorporation of unnatural nucleotides and methods thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2023-12-05 US disclosed
US-11834689-B2 Incorporation of unnatural nucleotides and methods thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2023-12-05 US disclosed
US-20210222147-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS THEREOF SANOFI (FR) 2021-07-22 US disclosed
US-20200131555-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-04-30 US disclosed
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 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 (2 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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET MAPT 3364/4885KDM4E 4500/4885PSMB5 3490/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET MAPT 3364/4885KDM4E 4500/4885PSMB5 3490/4885

“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.