SCHEMBL21672467

SCHEMBL21672467

CC(C)(C)c1cc2c([nH]1)CCNC2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKN2 Q16513 1/20 0.45
PNMT P11086 8/20 0.37
CD44 P16070 1/20 0.35
MAOB P27338 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34

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
SCHEMBL21672149 0.85 PNMT (0.35) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL20909687 0.79 PKN2 (0.49) PKN2PNMTCD44MAOBADRA2A
SCHEMBL26262489 0.75 KDM4E (0.38)
SCHEMBL12024894 0.75 KDM4E (0.42)
SCHEMBL20884972 0.70 PKN2 (0.45) PKN2PNMTCD44MAOBADRA2A
SCHEMBL20884009 0.70 PKN2 (0.45) PKN2PNMTCD44MAOBADRA2A
SCHEMBL20939531 0.69 PKN2 (0.44) PKN2PNMTCD44MAOBADRA2A
SCHEMBL5118911 0.67 PKN2 (0.45) PKN2PNMTCD44MAOBADRA2A
SCHEMBL16492191 0.66 PKN2 (0.41) PKN2PNMT
Hydrochloric Acid SCHEMBL16486023 0.65 HTR2C (0.40) PKN2

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-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 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-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 PKN2 1127/4885PNMT 10/4885CD44 3007/4885

“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.