SCHEMBL8221922

SCHEMBL8221922

COc1ccc(-c2nn(C)nc2-c2ccsc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ KDR P35968 3/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ PDGFRA P16234 2/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ GPBAR1 Q8TDU6 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ADORA1 P30542 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14294732 0.85 KDR (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14270967 0.84 KDR (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8214324 0.81 FYN (0.42) CYP2A6KMT2AMEN1
SCHEMBL8212283 0.80 CYP2A6 (0.53) GAACYP2A6ADORA1
SCHEMBL3277198 0.80 KDM4E (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8218208 0.78 KDM4E (0.61) NPC1RAB9AKMT2AMEN1ADORA1
SCHEMBL2780033 0.77 CYP2A6 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14298815 0.77 MEN1 (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8207607 0.76 PDE10A (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8205594 0.75 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021871-A2 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 — — WO disclosed
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 — — 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-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC GABRA1 4718/4885GABRG2 4745/4885GABRB3 4702/4885

“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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