SCHEMBL19503753

SCHEMBL19503753

CCCc1nc(C)[nH]c(=O)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPV1 Q8NER1 7/20 0.33
KDM5A P29375 1/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL13693758 0.86 KDM5A (0.43) CDK4CCND1ALDH1A1L3MBTL1TRPV1
SCHEMBL19503752 0.78 HTT (0.46) CDK4CCND1ALDH1A1L3MBTL1USP2
SCHEMBL20990600 0.75 POLB (0.52) CDK4CCND1ALDH1A1L3MBTL1GAA
SCHEMBL19503077 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1TRPV1KDM5AGAA
SCHEMBL8207764 0.72 ALDH1A1 (0.39) ALDH1A1L3MBTL1TRPV1KDM5AGAA
SCHEMBL19760867 0.71 POLB (0.47) ALDH1A1L3MBTL1TRPV1GAAPOLB
SCHEMBL5851856 0.69 SMPD3 (0.34) CDK4CCND1ALDH1A1POLB
SCHEMBL12176674 0.68 HTT (0.43) CDK4CCND1ALDH1A1L3MBTL1HTT
SCHEMBL3704415 0.67 PDK2 (0.37) CDK4CCND1ALDH1A1GAAUSP2
SCHEMBL16575388 0.67 GCGR (0.33) ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633371-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-20200039968-A9 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-06 US disclosed
US-20190135796-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-05-09 US disclosed
WO-2017184999-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-26 WO 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 (3 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-20190135796-A1 EZH2 INHIBITORS AND USES THEREOF EZH2, EZH1, BMI1 CDK4 510/4885CCND1 2344/4885ALDH1A1 1572/4885
US-20200039968-A9 EZH2 INHIBITORS AND USES THEREOF EZH2, EZH1, BMI1 CDK4 510/4885CCND1 2344/4885ALDH1A1 1572/4885
US-10633371-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 CDK4 510/4885CCND1 2344/4885ALDH1A1 1572/4885

“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.