SCHEMBL25627396

SCHEMBL25627396

CN(C)CCOc1nc2c(ccn2C)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KAT2B Q92831 1/20 0.37
▸ NR4A2 P43354 1/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ HTR7 P34969 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ CTSS P25774 1/20 0.33

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
SCHEMBL25613056 0.73 KDM4E (0.39) KDM4EALDH1A1GAAMAPK1KAT2B
SCHEMBL13824599 0.69 — —
SCHEMBL25625028 0.67 ALOX5AP (0.36) CHRNB2CHRNA4
SCHEMBL20017088 0.64 KDM4E (0.57) KDM4EALDH1A1GAAMAPK1CHRNB2
SCHEMBL25627230 0.61 HRH4 (0.36) KDM4EALDH1A1LMNATDP1HTR6
SCHEMBL11922142 0.60 APP (0.41) —
SCHEMBL8129763 0.60 KDM4E (0.82) KDM4EALDH1A1GAAMAPK1CYP1A2
SCHEMBL10176652 0.60 KDM4E (0.53) KDM4EALDH1A1GAAMAPK1TDP1
SCHEMBL31398533 0.59 HRH4 (0.35) ALDH1A1LMNACYP2C9
SCHEMBL12666667 0.59 CHRNB2 (0.50) KDM4EALDH1A1GAAMAPK1CHRNB2

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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 — — 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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 KDM4E 2788/4885ALDH1A1 3019/4885GAA 1460/4885

“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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