Sugi Predict

Sugi Predict / Compounds / SCHEMBL3387703

SCHEMBL3387703

SCHEMBL3387703

CC(=O)C(C)NC(=O)c1ccc(C)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.50
▸ BBOX1 O75936 2/20 0.37
▸ EGLN1 Q9GZT9 2/20 0.37
▸ FTO Q9C0B1 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ACLY P53396 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 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
SCHEMBL21676260 0.86 EGFR (0.54) EGFRADORA2AADORA1ALDH1A1PKM
SCHEMBL2472432 0.82 EGFR (0.50) EGFRADORA2AADORA1BRD4ACKR3
SCHEMBL5438509 0.81 MEN1 (0.51) EGFRALDH1A1PKM
SCHEMBL9569932 0.78 ADORA2A (0.58) EGFRADORA2AADORA1LMNAL3MBTL1
SCHEMBL14469060 0.77 EGFR (0.57) EGFRBRD4LMNAL3MBTL1ACLY
SCHEMBL6988044 0.77 EGFR (0.58) EGFRBRD4LMNAL3MBTL1ACLY
SCHEMBL701920 0.77 TAS1R3 (0.48) EGFR
SCHEMBL7256356 0.77 EGFR (0.58) EGFRADORA2AADORA1LMNAALDH1A1
SCHEMBL2474259 0.75 EGFR (0.49) EGFRADORA2ABRD4
SCHEMBL846877 0.75 EGFR (0.50) EGFRLMNAL3MBTL1ACLYSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300857-A N-{[(ir,4s,6r-3-(2-pyridinylcarbonyl)-3-azabicyclo [4.1.0]hept-4-yl] Methyl}-2-heteroarylamine Derivatives And Uses Thereof — 2011-12-28 — — CN disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 — — WO disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 — — WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 — — US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 — — US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 — — US disclosed
US-20100130712-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT IDEMITSU KOSAN CO., LTD. (JP) 2010-05-27 — — 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 (2 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B EGFR 1951/4885BBOX1 2160/4885EGLN1 4214/4885
US-20100130712-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT ARCN1, APP, ADAM17 EGFR 3325/4885BBOX1 3141/4885EGLN1 1627/4885

“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.