SCHEMBL3369186

SCHEMBL3369186

CNC(=O)Nc1nc(C)c(C(=O)Nc2cccc(C(=O)NC(CC(=O)O)c3cccnc3)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 2/20 0.50
KMT2A Q03164 7/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 5/20 0.45
CLK1 P49759 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
LCK P06239 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
PKM P14618 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL3372331 0.91 TP53 (0.48) SUCNR1KMT2AMAPTMEN1CLK1
SCHEMBL7146957 0.81 ITGB3 (0.55) KMT2AMAPTMEN1CLK1POLB
Hydrochloric Acid SCHEMBL7140471 0.80 ITGB3 (0.55) KMT2AMAPTMEN1CLK1POLB
SCHEMBL7138718 0.80 SUCNR1 (0.49) SUCNR1KMT2AMAPTMEN1HTT
SCHEMBL7142255 0.74 SUCNR1 (0.58) SUCNR1ITGB3ITGA2BITGAV
SCHEMBL7140503 0.73 ALDH1A1 (0.49) KMT2AMAPTMEN1CLK1POLB
SCHEMBL7138711 0.71 SUCNR1 (0.48) SUCNR1ITGB3ITGA2BITGAV
SCHEMBL7145882 0.71 SUCNR1 (0.69) SUCNR1KMT2AITGB3ITGA2BITGAV
SCHEMBL6778483 0.71 SUCNR1 (0.53) SUCNR1HTTITGB3ITGA2BALDH1A1
SCHEMBL6777398 0.71 SUCNR1 (0.53) SUCNR1HTTITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594854-B1 THIAZOLYL-BASED COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP claimed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US claimed
EP-1594854-B1 THIAZOLYL-BASED COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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 (1 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 SUCNR1 704/4885KMT2A 4510/4885MAPT 86/4885

“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.