SCHEMBL2023131

SCHEMBL2023131

CCCCN(c1ccccc1)c1nccn2c(N(C(=O)O)C(C)C)nnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ CASP1 P29466 1/20 0.33
▸ BRCA1 P38398 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ AGTR1 P30556 3/20 0.32
▸ AGTR2 P50052 3/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ GRIA1 P42261 1/20 0.31
▸ ESR1 P03372 1/20 0.31

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
SCHEMBL2026164 0.82 LMNA (0.36) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2019721 0.81 ADORA3 (0.37) GRIA1
SCHEMBL2024478 0.80 GRIA1 (0.31) LMNAALDH1A1SMN1; SMN2TP53GRIA1
SCHEMBL2021495 0.79 ZAP70 (0.40) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2021837 0.79 ZAP70 (0.40) CYP1A2KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL12637347 0.79 CYP1A2 (0.41) CYP1A2HTTLMNAMEN1KMT2A
SCHEMBL12575060 0.79 CYP1A2 (0.46) CYP1A2HTTLMNAMEN1KMT2A
SCHEMBL2022563 0.78 HPGD (0.35) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL2022658 0.78 CYP1A2 (0.46) CYP1A2HTTLMNAMEN1KMT2A
SCHEMBL12574622 0.77 CYP1A2 (0.37) CYP1A2HTTLMNAMEN1KMT2A

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-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 — — 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-20110160215-A1 Substituted Triazolo-Pyrazine Compounds MKI67, TP53, THPO CYP1A2 296/4885HTT 1571/4885LMNA 3278/4885

“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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