SCHEMBL4489203

SCHEMBL4489203

CCOC(=O)c1cc2cccc(C)c2n2nnnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
USP2 O75604 1/20 0.48
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CDC25B P30305 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 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
SCHEMBL4502554 0.88 MAPT (0.43) ALDH1A1PKMLMNATSHRUSP2
SCHEMBL4510816 0.87 MAPT (0.44) ALDH1A1PKMLMNATSHRUSP2
SCHEMBL29522731 0.87 MAPT (0.44) ALDH1A1PKMLMNATSHRUSP2
SCHEMBL4502868 0.85 KDM4E (0.42) ALDH1A1PKMLMNATSHRUSP2
SCHEMBL4500744 0.85 CSNK1D (0.39) ALDH1A1TSHRKDM4EKMT2ACYP1A2
SCHEMBL4510856 0.84 ALDH1A1 (0.51) ALDH1A1PKMLMNATSHRUSP2
SCHEMBL14209188 0.83 MEN1 (0.47) ALDH1A1PKMTSHRKDM4EKMT2A
SCHEMBL4510611 0.81 KDM4E (0.45) ALDH1A1PKMTSHRKDM4EKMT2A
SCHEMBL5142018 0.78 ALDH1A1 (0.46) ALDH1A1LMNATSHRKDM4EKMT2A
SCHEMBL4507375 0.78 MAOB (0.41) ALDH1A1LMNAKDM4EKMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 874/4885PKM 4456/4885LMNA 3994/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 ALDH1A1 874/4885PKM 4456/4885LMNA 3994/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS ALDH1A1 2575/4885PKM 4004/4885LMNA 4483/4885

“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.