SCHEMBL10183066

SCHEMBL10183066

CC(C)(C)c1cnc2n1CCCN2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.39
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.31
MAPK10 P53779 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
RPS6KA2 Q15349 1/20 0.31
TGFBR1 P36897 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
SCHEMBL10183041 0.95 KDM4E (0.36) GFERKDM4EALDH1A1POLBHPGD
SCHEMBL10183113 0.89 KDM4E (0.32) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22102449 0.77 GFER (0.42) GFERKDM4EALDH1A1POLBHPGD
SCHEMBL23022340 0.73 GFER (0.42) GFERKDM4EALDH1A1POLBHPGD
SCHEMBL22050615 0.72 GFER (0.39) GFERKDM4EALDH1A1POLBHPGD
SCHEMBL10183038 0.69 AR (0.44) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL21672360 0.69 GFER (0.32) GFERRPS6KA2
SCHEMBL10183044 0.68 MAPK1 (0.47) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL16370050 0.68 KDM4E (0.40) GFERKDM4EALDH1A1POLBHPGD
SCHEMBL12376780 0.67 KDM4E (0.41) KDM4EALDH1A1POLBHPGDMAPK10

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-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF GFER 2556/4885KDM4E 2722/4885ALDH1A1 1934/4885
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 GFER 1636/4885KDM4E 222/4885ALDH1A1 180/4885

“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.