SCHEMBL22370039

SCHEMBL22370039

C[C@H]1N(C)c2cccnc2N1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ KMT2A Q03164 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL22370040 0.88 ADORA3 (0.35) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL18019561 0.81 KDM4E (0.31) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL16722857 0.80 KDM4E (0.47) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL32662296 0.80 KDM4E (0.47) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL26275270 0.80 KDM4E (0.47) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL22370008 0.78 MYC (0.31) KDM4EKMT2A
SCHEMBL20368647 0.78 ADORA3 (0.33) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL24469162 0.77 KDM4E (0.36) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL22370017 0.77 — —
SCHEMBL23059124 0.76 KDM4E (0.39) KDM4EALDH1A1GAAHPGDALOX12

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-20200274079-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-08-27 — — 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-20200274079-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OSBP, OCIAD2 KDM4E 4178/4885ALDH1A1 2484/4885GAA 1851/4885

“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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