SCHEMBL8206858

SCHEMBL8206858

Cn1nc(-c2ccccc2)c(-c2ccc(OC(F)(F)F)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GABRA5 P31644 2/20 0.36
▸ ATP1A1 P05023 1/20 0.36
▸ ATP1B1 P05026 1/20 0.36
▸ ATP1A3 P13637 1/20 0.36
▸ ATP1B2 P14415 1/20 0.36
▸ ATP1A2 P50993 1/20 0.36
▸ ATP1B3 P54709 1/20 0.36
▸ FXYD2 P54710 1/20 0.36
▸ ATP1A4 Q13733 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ F2RL3 Q96RI0 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34

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
SCHEMBL13510722 0.86 GABRA5 (0.37) KDM4EALDH1A1GABRA5DYRK1AKDR
SCHEMBL13509090 0.86 ATP1A1 (0.39) KDM4EALDH1A1GABRA5ATP1A1ATP1B1
SCHEMBL8215862 0.82 KDR (0.48) KDM4EKDR
SCHEMBL8205966 0.73 KMT2A (0.48) KDM4EALDH1A1NSD3
SCHEMBL577934 0.72 CHRM5 (0.34) GABRA5ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL13509089 0.70 KDR (0.45) KDM4EKDR
SCHEMBL8205476 0.70 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL13680445 0.70 HSD17B1 (0.46) CTSDBACE1BACE2KDR
SCHEMBL13510715 0.69 KDR (0.46) KDM4EKDR
SCHEMBL8218208 0.67 KDM4E (0.61) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 — — US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 — — US disclosed
WO-2008021960-A2 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 — — WO 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC KDM4E 1545/4885ALDH1A1 1237/4885GABRA5 4634/4885

“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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