SCHEMBL19853215

SCHEMBL19853215

CCOC(O)c1ccnc(C(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 1/20 0.35
▸ AAK1 Q2M2I8 17/20 0.33
▸ CIT O14578 3/20 0.33
▸ GAK O14976 3/20 0.33
▸ MKNK1 Q9BUB5 3/20 0.33
▸ BMP2K Q9NSY1 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ PRKG2 Q13237 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PKN2 Q16513 1/20 0.33
▸ MKNK2 Q9HBH9 2/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ LATS2 Q9NRM7 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ MYLK2 Q9H1R3 1/20 0.32
▸ TNIK Q9UKE5 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
SCHEMBL29306465 0.74 RXRA (0.33) L3MBTL1
SCHEMBL21257678 0.74 ALDH1A1 (0.33) L3MBTL1
SCHEMBL21398692 0.73 USP2 (0.39) SMARCA2AAK1CITGAKMKNK1
SCHEMBL11994360 0.72 SMARCA2 (0.38) SMARCA2AAK1CITGAKMKNK1
SCHEMBL24568624 0.72 SMARCA2 (0.35) SMARCA2AAK1CITGAKMKNK1
SCHEMBL27406023 0.69 SMARCA2 (0.36) SMARCA2AAK1CITGAKMKNK1
SCHEMBL17981895 0.69 AAK1 (0.36) SMARCA2AAK1CITGAKMKNK1
SCHEMBL17000211 0.69 SMARCA2 (0.36) SMARCA2AAK1CITGAKMKNK1
SCHEMBL15581118 0.69 ACHE (0.40) CYP3A4L3MBTL1SLC6A2
SCHEMBL28382973 0.68 MEN1 (0.49) CYP3A4SLC6A2KCNH2

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-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 — — 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-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TPMT, TET1, DNMT1 SMARCA2 446/4885AAK1 2388/4885CIT 3996/4885

“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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