SCHEMBL6189449

SCHEMBL6189449

CC(C)OB(OC(C)C)c1ccco1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX5 P09917 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
SCHEMBL5951496 0.76 TP53 (0.39) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL14983495 0.71 TP53 (0.34) TP53NPC1RAB9A
SCHEMBL14983493 0.69 MAPT (0.36) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL29564383 0.67 TP53 (0.31) TP53
SCHEMBL14983494 0.67 MAPT (0.39) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL14983496 0.67 TSHR (0.33) TP53KMT2A
SCHEMBL1477749 0.66 TP53 (0.41) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL5951509 0.64 ALDH1A1 (0.33) TP53NPC1RAB9A
SCHEMBL15780777 0.64
SCHEMBL2400555 0.64 ORAI1 (0.40) TP53RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897214-B2 Quinazoline derivatives ZENECA LIMITED (GB) 2005-05-24 US disclosed
EP-0880507-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP disclosed
US-20030018029-A1 Quinazoline derivatives ZENECA LIMITED 2003-01-23 US disclosed
US-6399602-B1 ANTICANCER AGENTS ZENECA LIMITED (GB) 2002-06-04 US disclosed
EP-0880517-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-01-16 EP disclosed
US-5866572-A RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES, TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER. ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0880517-A1 QUINAZOLINE COMPOUNDS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
EP-0880507-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
US-5814630-A USEFUL AS RECEPTOR TYROSINE KINASE INHIBITORS IN THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-09-29 US disclosed
WO-1997030034-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ZENECA LIMITED (GB) 1997-08-21 WO disclosed
WO-1997030044-A1 QUINAZOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-21 WO disclosed
US-4870212-A ALKYL BORATE AND ORGANOLITHIUM ALDRICH-BORANES, INC. (US) 1989-09-26 US disclosed
US-4870177-A PYROLYSIS OF LITHIUM ORGANYLBORATES ALDRICH-BORANES, INC. (US) 1989-09-26 US disclosed
US-4855506-A Process for lithium mono- and diorganylborohydrides ALDRICH-BORANES, INC. (US) 1989-08-08 US disclosed
US-4772751-A EASILY SEPARATED FROM BY-PRODUCTS ALDRICH-BORANES, INC. (US) 1988-09-20 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 (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-20030018029-A1 Quinazoline derivatives ABL1, FGFR1, ERBB2 TP53 106/4885NPC1 2338/4885RAB9A 667/4885

“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.