SCHEMBL4509541

SCHEMBL4509541

CCOC(=O)c1cc2c(N)cccc2n2nnnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CDC25B P30305 4/20 0.46
ESRRA P11474 1/20 0.43
RXFP1 Q9HBX9 4/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 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
SCHEMBL4510611 0.88 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL4496814 0.86 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL14209188 0.81 MEN1 (0.47) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL13755944 0.81 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL4497309 0.78 ADORA3 (0.47) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL4489203 0.74 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL4502554 0.73 MAPT (0.43) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL29522731 0.72 MAPT (0.44) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4510816 0.72 MAPT (0.44) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4511105 0.72 SMN1; SMN2 (0.44) KDM4EALDH1A1HSD17B10HPGDTSHR

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 KDM4E 3202/4885ALDH1A1 874/4885HSD17B10 1164/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 KDM4E 3202/4885ALDH1A1 874/4885HSD17B10 1164/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS KDM4E 4239/4885ALDH1A1 2575/4885HSD17B10 1261/4885

“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.