SCHEMBL19960982

SCHEMBL19960982

CC(C)(C)c1c2n(c3ccccc13)CCC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRNA7 P36544 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RECQL P46063 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
SCHEMBL19960983 0.83 KDM4E (0.31) KDM4EHTR2AHTR2CMEN1ALDH1A1
SCHEMBL18202171 0.79 HTR2A (0.43) CHRM2CHRNA7KDM4EHTR2AHTR2C
SCHEMBL19960984 0.78 CHRM2 (0.30) CHRM2CHRNA7
SCHEMBL19960987 0.68 HTR2A (0.42) KDM4EHTR2AHTR2CMAPTRECQL
SCHEMBL19960975 0.66 PABPC1 (0.45) KDM4EHTR2AHTR2CMEN1ALDH1A1
SCHEMBL10726825 0.65 KDM4E (0.48) KDM4EHTR2AHTR2CMAPTRECQL
SCHEMBL19960978 0.65 HTR2A (0.36) CHRM2CHRNA7KDM4EHTR2AHTR2C
SCHEMBL19960980 0.65 HTR2A (0.36) CHRM2CHRNA7KDM4EHTR2AHTR2C
SCHEMBL19960988 0.65 PER2 (0.40) KDM4EHTR2AHTR2CMEN1ALDH1A1
SCHEMBL18202167 0.65 HTR2A (0.42) CHRM2CHRNA7KDM4EHTR2AHTR2C

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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor EGFR, ERBB2, ERBB4 CHRM2 4850/4885CHRNA7 4684/4885KDM4E 3193/4885

“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.