SCHEMBL4509560

SCHEMBL4509560

CC(C)ONC(=O)c1cc2cccc(Cl)c2n2nnnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
ATM Q13315 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 3/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4490360 0.87 ALDH1A1 (0.36) POLBNPC1CASP3ATMSENP8
SCHEMBL4492899 0.85 PTGS2 (0.39) POLBNPC1CASP3ATMSENP8
SCHEMBL4503746 0.85 CCNA2 (0.36) POLBNPC1CASP3ATMSENP8
SCHEMBL5101854 0.83 HDAC6 (0.40) POLBNPC1CASP3ATMSENP8
SCHEMBL4491036 0.81 CCNA2 (0.39) POLBNPC1CASP3ATMSENP8
SCHEMBL4502155 0.79 CCR2 (0.39) ALDH1A1PKMLMNAUSP2TSHR
SCHEMBL4499734 0.78 LMNA (0.42) POLBALDH1A1PKMLMNAUSP2
SCHEMBL4502554 0.77 MAPT (0.43) NPC1ALDH1A1PKMLMNAUSP2
SCHEMBL4493629 0.77 TSHR (0.42) POLBNPC1CASP3ATMSENP8
SCHEMBL5142018 0.74 ALDH1A1 (0.46) POLBATMALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US claimed
EP-1668009-A1 HCV INHIBITORS AND METHODS OF USING THEM Rigel Pharmaceuticals, Inc. (US) 2006-06-14 EP claimed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 US claimed
WO-2005030774-A1 HCV INHIBITORS AND METHODS OF USING THEM RIGEL PHARMACEUTICALS, INC. (US) 2005-04-07 WO claimed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 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 (3 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-20070149520-A1 HCV Inhibitors And Methods Of Using Them HAVCR2, GLS2, EIF2AK2 POLB 2814/4885NPC1 38/4885CASP3 2121/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 POLB 2814/4885NPC1 38/4885CASP3 2121/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS POLB 3198/4885NPC1 470/4885CASP3 2843/4885

“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.