SCHEMBL10045002

SCHEMBL10045002

COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ SRC P12931 2/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL10072211 0.85 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8205594 0.85 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL13509018 0.83 PDPK1 (0.53) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL14271033 0.82 ADRB2 (0.43) NPC1RAB9AADORA3ADORA2AADORA2B
SCHEMBL13509035 0.77 PDE10A (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL13509150 0.77 KDM4E (0.56) SRCABL1PIK3CDEGFRHCK
SCHEMBL14270967 0.77 KDR (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL468161 0.76 PDPK1 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14270981 0.76 SRC (0.43) SRCABL1PIK3CDEGFRHCK
SCHEMBL3663194 0.75 MEN1 (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 — — US disclosed
US-7605126-B2 Acylaminoheteroaryl hepatitis C virus protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-20 — — US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 — — US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 — — US disclosed
US-20080039470-A1 Acylaminoheteroaryl hepatitis C virus protease inhibitors ENANTA PHARMACEUTICALS, INC. 2008-02-14 — — US 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 (4 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
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC GABRA1 4716/4885GABRG2 4734/4885GABRB3 4707/4885
US-20080039470-A1 Acylaminoheteroaryl hepatitis C virus protease inhibitors ATG4A, CYP4A22, AADAC GABRA1 4679/4885GABRG2 4625/4885GABRB3 4613/4885
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 GABRA1 4658/4885GABRG2 4536/4885GABRB3 4495/4885

“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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