SCHEMBL7146818

SCHEMBL7146818

N=C(N)Nc1nc(-c2ccccc2)c(C(=O)O)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
ADORA2B P29275 2/20 0.52
NPSR1 Q6W5P4 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 2/20 0.50
XIAP P98170 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADORA1 P30542 5/20 0.49
ADORA2A P29274 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL15064944 0.82 KMT2A (0.70) ADORA3SMN1; SMN2ALDH1A1KMT2ANPC1
Bromide SCHEMBL7142168 0.81 MEN1 (0.75) ADORA3SMN1; SMN2ALDH1A1KMT2AADORA2B
SCHEMBL3587631 0.81 ADORA3 (0.82) ADORA3SMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL3598191 0.79 ALOX5 (0.63) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL7142125 0.77 XIAP (0.47) ADORA3SMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL3609977 0.76 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL5356543 0.76 ADORA2B (0.65) SMN1; SMN2ALDH1A1KMT2ARAB9AADORA2B
SCHEMBL4393284 0.76 ADORA3 (0.69) ADORA3SMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL27757739 0.74 CDC7 (0.55) ADORA3SMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL5735532 0.74 PKM (0.51) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A

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-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
EP-0928793-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-05-15 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
US-6001855-A REACTING A THIAZOLE DERIVATIVE AND A CYCLIC AMINE DERIVATIVE; INHIBITS BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS HOFFMAN-LA ROCHE INC. (US) 1999-12-14 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
EP-0928793-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 ADORA3 3104/4885SMN1; SMN2 3186/4885ALDH1A1 1400/4885

“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.