SCHEMBL2020328

SCHEMBL2020328

Cc1cccc(N(C)c2nccn3c(N(C(=O)O)C(C)C)nnc23)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ ELANE P08246 1/20 0.35
▸ CSF1R P07333 5/20 0.35
▸ EGFR P00533 4/20 0.35
▸ HSD17B1 P14061 2/20 0.35
▸ HSD17B2 P37059 2/20 0.35
▸ GRIA1 P42261 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ KDM4C Q9H3R0 2/20 0.33
▸ CLK1 P49759 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ TP53 P04637 1/20 0.32

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 0.90 LMNA (0.36) MAPTEGFRGRIA1TP53
SCHEMBL2019511 0.82 CSNK1E (0.35) GRIA1RXRARXRB
SCHEMBL2016014 0.82 KDM4A (0.32) GRIA1RXRAKDM4C
SCHEMBL2026353 0.81 TUBB4A (0.36) MAPTCSF1REGFR
SCHEMBL12637809 0.79 MAPT (0.42) MAPTELANECSF1REGFRRXRA
SCHEMBL2020201 0.79 BRD4 (0.44) MAPTTP53
SCHEMBL2027341 0.77 MEN1 (0.36) MAPTGRIA1KDM4CTP53
SCHEMBL2020203 0.76 ZAP70 (0.33) MAPTGRIA1
SCHEMBL2018494 0.76 ADORA3 (0.52) —
SCHEMBL12574694 0.76 MAPT (0.38) MAPTELANECSF1REGFRRXRA

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 MAPT 2493/4885ELANE 2743/4885CSF1R 3288/4885

“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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