SCHEMBL20417204

SCHEMBL20417204

CCCC(C)(C)C(=O)NCc1ncc(C)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RIPK1 Q13546 3/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ CACNA1H O95180 1/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ FLT3 P36888 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ ELANE P08246 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
SCHEMBL16133626 0.84 CACNA1B (0.43) SMOFLT3HASPINL3MBTL1CACNA1B
SCHEMBL19323027 0.76 SMN1; SMN2 (0.38) MEN1KMT2AFLT3HASPIN
SCHEMBL16136259 0.76 KDM4E (0.45) KMT2AFLT3HASPINL3MBTL1ELANE
SCHEMBL16768672 0.72 FLT3 (0.31) FLT3HASPIN
SCHEMBL17447472 0.71 SMO (0.46) SMOMEN1KMT2ATDP1RIPK1
SCHEMBL20417155 0.70 QPCT (0.46) —
SCHEMBL19176853 0.69 SMO (0.40) SMOMEN1KMT2ATDP1RIPK1
SCHEMBL20625833 0.69 CCR2 (0.39) MEN1KMT2ARIPK1CNR1CCR2
SCHEMBL24827544 0.68 KDM4E (0.41) TDP1L3MBTL1
SCHEMBL17447491 0.68 RAB9A (0.55) SMOMEN1KMT2ATDP1RIPK1

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-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 — — 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-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 SMO 1462/4885MEN1 1273/4885KMT2A 1556/4885

“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.

Send feedback