SCHEMBL19960979

SCHEMBL19960979

CC(C)(C)c1c2n(c3ccccc13)CCC(=O)C2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.38
HTR2C P28335 7/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
SMARCA4 P51532 4/20 0.36
RECQL P46063 1/20 0.35
PBRM1 Q86U86 3/20 0.35
PER2 O15055 1/20 0.33

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
SCHEMBL18202172 0.80 HTR2A (0.55) HTR2AHTR2CKDM4EMAPTSMARCA4
SCHEMBL19960987 0.78 HTR2A (0.42) HTR2AHTR2CKDM4EMAPTRECQL
SCHEMBL19960981 0.77 HTR2A (0.41) HTR2AHTR2CKDM4EMAPTPER2
SCHEMBL19930320 0.77 MTNR1A (0.41) HTR2AHTR2CKDM4EMAPTSMARCA4
SCHEMBL19960975 0.76 PABPC1 (0.45) HTR2AHTR2CKDM4EMAPTSMARCA4
SCHEMBL19960977 0.72 HTR2A (0.35) HTR2AHTR2CKDM4EMAPTPER2
SCHEMBL19960980 0.72 HTR2A (0.36) HTR2AHTR2CKDM4EMAPTRECQL
SCHEMBL19960978 0.72 HTR2A (0.36) HTR2AHTR2CKDM4EMAPT
SCHEMBL19960986 0.71 PER2 (0.36) HTR2AHTR2CRECQLPER2
SCHEMBL9382916 0.70 SIGMAR1 (0.47) HTR2AHTR2CKDM4EMAPT

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 2254/4885KDM4E 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.