SCHEMBL19504437

SCHEMBL19504437

COCCn1cc2c(n1)CN(C(C)(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
LRRK2 Q5S007 2/20 0.33
HSD17B1 P14061 1/20 0.33
IKBKB O14920 1/20 0.33
BRAF P15056 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAP4K4 O95819 1/20 0.30
EGFR P00533 1/20 0.30
FRK P42685 1/20 0.30
MAPK9 P45984 1/20 0.30
CSNK1D P48730 1/20 0.30
SLK Q9H2G2 1/20 0.30

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
SCHEMBL19498034 0.83
SCHEMBL17624277 0.83 HDAC1 (0.41) HDAC1HDAC2LRRK2HSD17B1IKBKB
SCHEMBL13562717 0.82 MEN1 (0.33)
SCHEMBL19498028 0.80 HDAC1 (0.32) HDAC1HDAC2
SCHEMBL13562718 0.76 HTT (0.38) HSD17B1
SCHEMBL13562714 0.76 DPP4 (0.41) LRRK2
SCHEMBL13562722 0.76 DPP4 (0.41)
SCHEMBL19504436 0.76 HDAC9 (0.36)
SCHEMBL23372983 0.75 HDAC1 (0.46) HDAC1HDAC2IKBKBMAPK1
SCHEMBL18015998 0.74 DRD4 (0.31)

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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 HDAC1 54/4885HDAC2 90/4885LRRK2 444/4885

“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.