Sugi Predict

Sugi Predict / Compounds / SCHEMBL5026014

SCHEMBL5026014

SCHEMBL5026014

C=CCc1cc(N)sc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ GABRA1 P14867 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ ICAM1 P05362 1/20 0.31
▸ SELE P16581 1/20 0.31
▸ VCAM1 P19320 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL5851271 0.72 GABRA1 (0.34) GABRA1GABRB2POLB
SCHEMBL11034047 0.71 PTGDR (0.31) PTGDRPTGDR2
SCHEMBL5493304 0.69 IKBKB (0.40) POLBALDH1A1LMNAHPGD
SCHEMBL29882 0.68 PTPRC (0.42) PTGDRPTGDR2GABRA1GABRB2LMNA
SCHEMBL1081402 0.68 KDM4E (0.47) POLBALDH1A1LMNAHPGDHTT
SCHEMBL2852455 0.68 ALDH1A1 (0.53) PTGDRPTGDR2GABRA1GABRB2POLB
SCHEMBL29225947 0.67 GABRA1 (0.41) PTGDRPTGDR2GABRA1GABRB2POLB
SCHEMBL2053985 0.67 GABRA1 (0.41) PTGDRPTGDR2GABRA1GABRB2POLB
SCHEMBL27973584 0.67 PTGDR (0.32) PTGDRPTGDR2GABRA1GABRB2POLB
SCHEMBL9081528 0.67 IDO1 (0.42) PTGDRPTGDR2GABRA1GABRB2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 — — EP disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 — — WO disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 — — US disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 — — US disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 — — US disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 — — EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 — — WO 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 (2 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-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC PTGDR 4476/4885PTGDR2 4329/4885GABRA1 4557/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB PTGDR 4708/4885PTGDR2 4574/4885GABRA1 4670/4885

“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.