SCHEMBL4495945

SCHEMBL4495945

O=C(O)c1cc2cc(F)ccc2n2nnnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
KEAP1 Q14145 1/20 0.37
TNKS O95271 2/20 0.37
GRM1 Q13255 1/20 0.36
MEN1 O00255 2/20 0.36
CCR2 P41597 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KCNMA1 Q12791 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDPK1 O15530 1/20 0.34
LMNA P02545 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 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
SCHEMBL4485871 0.89 CCR2 (0.38) ALDH1A1KDM4EHPGDHSD17B10RXFP1
SCHEMBL5108532 0.85 RXFP1 (0.38) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4492654 0.83 MCL1 (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4482809 0.83 CUL4A (0.49) ALDH1A1KDM4EHPGDTSHRRXFP1
SCHEMBL13755948 0.83 TSHR (0.53) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4497665 0.81 MEN1 (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4492621 0.78 RAB9A (0.34) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4503279 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL13762775 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4488936 0.75 MAPT (0.50) ALDH1A1KDM4ETSHRRXFP1MAPT

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 874/4885KDM4E 3202/4885HPGD 3133/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 ALDH1A1 874/4885KDM4E 3202/4885HPGD 3133/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS ALDH1A1 2575/4885KDM4E 4239/4885HPGD 734/4885

“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.