SCHEMBL4494032

SCHEMBL4494032

Clc1ccc2cc(-n3ccnc3)c3nnnn3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.51
IDO1 P14902 3/20 0.47
MAPT P10636 4/20 0.40
NOTUM Q6P988 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP19A1 P11511 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TNKS O95271 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
TP53 P04637 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL4508758 0.83 MEN1 (0.50) IDO1MAPTCYP19A1KDM4EALDH1A1
SCHEMBL5103400 0.73 CUL4A (0.51) CUL4AMAPTRXFP1KDM4EALDH1A1
SCHEMBL5108852 0.70 CUL4A (0.48) CUL4AMAPTRXFP1KDM4EHTT
SCHEMBL6342180 0.70 IDO1 (0.70) IDO1MAPTNOTUMCYP19A1ALDH1A1
Potassium Ion SCHEMBL4511656 0.69 CUL4A (0.50) CUL4AMAPTRXFP1KDM4EALDH1A1
SCHEMBL406444 0.69 CUL4A (0.73) CUL4AMAPTRXFP1KDM4EALDH1A1
SCHEMBL4482553 0.69 CUL4A (0.52) CUL4AMAPTRXFP1KDM4EALDH1A1
SCHEMBL4498290 0.68 CUL4A (0.49) CUL4AMAPTRXFP1KDM4EALDH1A1
SCHEMBL11822565 0.68 CUL4A (0.63) CUL4AMAPTRXFP1KDM4EALDH1A1
SCHEMBL440118 0.68 CUL4A (1.00) CUL4AMAPTRXFP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 CUL4A 56/4885IDO1 1075/4885MAPT 4435/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 CUL4A 56/4885IDO1 1075/4885MAPT 4435/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS CUL4A 99/4885IDO1 756/4885MAPT 4179/4885

“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.