SCHEMBL3679719

SCHEMBL3679719

O=C1C=CC(O)(c2nc3cc(C(F)(F)F)ccc3s2)C=C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.47
AKR1B1 P15121 10/20 0.40
ILK Q13418 2/20 0.39
ALOX5 P09917 1/20 0.39
NCS1 P62166 1/20 0.39
AGPAT2 O15120 1/20 0.38
AKR1A1 P14550 3/20 0.37
AKR1B10 O60218 1/20 0.37
GLO1 Q04760 1/20 0.37
EPHX2 P34913 1/20 0.37
SCN4A P35499 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3673790 0.83 DYRK1A (0.44) DYRK1AAKR1B1ILKAKR1A1
SCHEMBL13508835 0.80 DYRK1A (0.45) DYRK1AAKR1B1MEN1KMT2A
SCHEMBL3677914 0.76 CHRM2 (0.44) DYRK1AMEN1KMT2A
SCHEMBL3677406 0.75 GFER (0.45) DYRK1AMEN1KMT2A
SCHEMBL3680258 0.72 DYRK1A (0.44) DYRK1AMEN1KMT2A
SCHEMBL22369860 0.69 ILK (0.44) DYRK1AAKR1B1ILKALOX5NCS1
SCHEMBL5847955 0.69 CYP1A2 (0.49) DYRK1AMEN1KMT2A
Hydrochloric Acid SCHEMBL22362685 0.68 ILK (0.43) DYRK1AAKR1B1ILKALOX5NCS1
SCHEMBL3673860 0.68 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL3642935 0.68 DYRK1A (0.58) DYRK1AAKR1B1ILKALOX5NCS1

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-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
EP-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
US-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-21 US disclosed
US-7144893-B2 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-05 US disclosed
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-11-04 US disclosed
EP-1404659-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2004-04-07 EP disclosed
WO-2003004479-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-16 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-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents TXNRD3, TXNRD1, TXN DYRK1A 802/4885AKR1B1 19/4885ILK 4399/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 DYRK1A 1691/4885AKR1B1 23/4885ILK 4557/4885

“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.