SCHEMBL4503746

SCHEMBL4503746

CCONC(=O)c1cc2cccc(Cl)c2n2nnnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
ALDH1A1 P00352 5/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 2/20 0.34
NPC1 O15118 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 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
SCHEMBL4507371 0.92 ALDH1A1 (0.35) ALDH1A1PKMTSHRLMNAUSP2
SCHEMBL4490360 0.89 ALDH1A1 (0.36) ALDH1A1PKMTSHRLMNAUSP2
SCHEMBL4495968 0.87 NPC1 (0.49) LMNAATMNPC1MAPK1
SCHEMBL4491036 0.87 CCNA2 (0.39) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4492899 0.85 PTGS2 (0.39) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4509560 0.85 POLB (0.34) ALDH1A1PKMTSHRLMNAUSP2
SCHEMBL4502554 0.84 MAPT (0.43) ALDH1A1PKMTSHRLMNAUSP2
SCHEMBL5101854 0.83 HDAC6 (0.40) ALDH1A1PKMTSHRLMNAUSP2
SCHEMBL4502155 0.79 CCR2 (0.39) ALDH1A1PKMTSHRLMNAUSP2
SCHEMBL4493629 0.79 TSHR (0.42) ALDH1A1PKMTSHRLMNAUSP2

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 15 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-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
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 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 CCNA2 3907/4885CDK2 665/4885CCNA1 3759/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 CCNA2 3907/4885CDK2 665/4885CCNA1 3759/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS CCNA2 2362/4885CDK2 148/4885CCNA1 2729/4885

“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.