SCHEMBL19960975

SCHEMBL19960975

CC(C)(C)c1c2n(c3ccccc13)CCC2=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.45
KDM4E B2RXH2 3/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.38
CREBBP Q92793 1/20 0.38
SMARCA4 P51532 6/20 0.37
PBRM1 Q86U86 3/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
PDE5A O76074 2/20 0.35
PER2 O15055 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL23944789 0.79 PDE4A (0.36) KDM4ERECQLMAPTSMARCA4MEN1
SCHEMBL9844706 0.79 KDM4E (0.60) PABPC1KDM4ERECQLMAPTTP53
SCHEMBL19960979 0.76 HTR2A (0.38) KDM4ERECQLMAPTSMARCA4PBRM1
SCHEMBL18202181 0.76 PABPC1 (0.49) PABPC1KDM4ERECQLMAPTTP53
SCHEMBL18202213 0.76 PABPC1 (0.49) PABPC1KDM4ERECQLMAPTTP53
SCHEMBL19960987 0.71 HTR2A (0.42) KDM4ERECQLMAPTPER2HTR2A
SCHEMBL19960981 0.70 HTR2A (0.41) KDM4EMAPTPER2HTR2AHTR2C
SCHEMBL10725922 0.70 KDM4E (0.54) PABPC1KDM4ERECQLMAPTTP53
SCHEMBL9657474 0.70 KDM4E (0.46) PABPC1KDM4ERECQLMAPTSMARCA4
SCHEMBL18202193 0.69 PABPC1 (0.40) PABPC1KDM4ERECQLMAPTTP53

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 PABPC1 3709/4885KDM4E 3193/4885RECQL 3466/4885

“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.