SCHEMBL4818487

SCHEMBL4818487

CC(Nc1c(-c2ccccc2Br)c(Cl)nc2ncnn12)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.34
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL4817198 0.88 USP2 (0.37) ENPP1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4811963 0.85 ENPP1 (0.36) ENPP1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4820336 0.80 ALDH1A1 (0.33) ALDH1A1LMNAL3MBTL1GAARAB9A
SCHEMBL4820872 0.80 ALDH1A1 (0.38) ENPP1ALDH1A1LMNAPOLBHPGD
SCHEMBL5328032 0.79 L3MBTL1 (0.32) ALDH1A1LMNASMN1; SMN2L3MBTL1HPGD
SCHEMBL5334653 0.79 MAPK1 (0.33) ENPP1ALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL5328026 0.79 L3MBTL1 (0.32) ALDH1A1LMNASMN1; SMN2L3MBTL1HPGD
SCHEMBL4821067 0.79 ALDH1A1 (0.32) ENPP1ALDH1A1LMNAL3MBTL1GAA
SCHEMBL4816593 0.78 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2L3MBTL1GAA
SCHEMBL25616304 0.78 HTT (0.37) ALDH1A1LMNAHTTL3MBTL1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US claimed
EP-1307200-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth (US) 2003-05-07 EP claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
WO-2002002563-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH (US) 2002-01-10 WO claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 ENPP1 1402/4885ALDH1A1 2231/4885LMNA 2723/4885

“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.