SCHEMBL17792536

SCHEMBL17792536

CC(=O)NCc1c(-c2ccncc2)[nH]n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1A1 P48729 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CSNK1G1 Q9HCP0 1/20 0.38
▸ BUB1 O43683 1/20 0.36
▸ VHL P40337 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 2/20 0.33
▸ CDC7 O00311 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BPTF Q12830 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ELANE P08246 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
SCHEMBL17792533 0.86 KDM4E (0.48) NPSR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL17789022 0.86 MAPT (0.38) CSNK1A1CSNK1DCLK2CSNK1G1ALDH1A1
SCHEMBL17789019 0.73 KDM4E (0.45) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL17297955 0.73 CSNK1A1 (0.43) CSNK1A1CSNK1DCLK2CSNK1G1BUB1
SCHEMBL17792562 0.72 CYP1A2 (0.34) NPSR1ALDH1A1KDM4EHTTCYP1A2
SCHEMBL17792532 0.70 CYP1A2 (0.33) NPSR1ALDH1A1HTTCYP1A2CYP3A4
SCHEMBL17792538 0.69 MTNR1A (0.33) NPSR1ALDH1A1HTTCYP1A2CYP3A4
SCHEMBL17792505 0.68 LMNA (0.38) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
SCHEMBL10227676 0.67 ROCK2 (0.58) VHLALDH1A1KDM4EHTTROCK2
SCHEMBL48578 0.66 HTT (0.64) ALDH1A1HTTCYP3A4MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 — — US disclosed
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 — — US disclosed
US-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-06-02 — — 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 (2 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-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS CSNK1A1 3167/4885CSNK1D 4049/4885CLK2 1414/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR CSNK1A1 3973/4885CSNK1D 4454/4885CLK2 2120/4885

“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.

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