SCHEMBL19960980

SCHEMBL19960980

CC(C)(C)c1c2n(c3ccccc13)CCSC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.36
HTR2C P28335 6/20 0.36
CHRM2 P08172 2/20 0.32
CHRNA7 P36544 2/20 0.32
KDM4E B2RXH2 3/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL19930208 0.80 HTR2A (0.53) HTR2AHTR2CCHRM2CHRNA7KDM4E
SCHEMBL19960987 0.76 HTR2A (0.42) HTR2AHTR2CKDM4EMAPTRECQL
SCHEMBL19966862 0.72
SCHEMBL19960979 0.72 HTR2A (0.38) HTR2AHTR2CKDM4EMAPTRECQL
SCHEMBL19960977 0.71 HTR2A (0.35) HTR2AHTR2CCHRM2CHRNA7KDM4E
SCHEMBL9382916 0.69 SIGMAR1 (0.47) HTR2AHTR2CCHRM2KDM4EMAPT
SCHEMBL23944977 0.66 PER2 (0.36) HTR2AHTR2CKDM4EMAPT
SCHEMBL23944980 0.66 JAK3 (0.41) HTR2AHTR2CCHRM2CHRNA7KDM4E
SCHEMBL19960984 0.65 CHRM2 (0.30) CHRM2CHRNA7
SCHEMBL19960975 0.65 PABPC1 (0.45) HTR2AHTR2CKDM4EMAPTKMT2A

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 HTR2A 3470/4885HTR2C 2254/4885CHRM2 4850/4885

“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.