SCHEMBL3673790

SCHEMBL3673790

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.44
AHR P35869 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
F2RL3 Q96RI0 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
ILK Q13418 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
AKR1B1 P15121 3/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
NAAA Q02083 1/20 0.33
AKR1A1 P14550 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL3677406 0.89 GFER (0.45) DYRK1ANPC1POLBRAB9APDPK1
SCHEMBL13508835 0.83 DYRK1A (0.45) DYRK1AAKR1B1NPC1RAB9A
SCHEMBL3679719 0.83 DYRK1A (0.47) DYRK1AILKAKR1B1AKR1A1
SCHEMBL3677914 0.80 CHRM2 (0.44) DYRK1ANPC1POLBRAB9A
SCHEMBL3680258 0.75 DYRK1A (0.44) DYRK1ANPC1RAB9A
SCHEMBL3678850 0.75 RAB9A (0.44) DYRK1ANPC1RAB9A
SCHEMBL5847955 0.72 CYP1A2 (0.49) DYRK1ANPC1RAB9A
SCHEMBL3673860 0.71 ALDH1A1 (0.46) NPC1POLBRAB9A
SCHEMBL3642370 0.65 DYRK1A (0.55) DYRK1AAHRF2RL3HDAC6HDAC3
SCHEMBL2432396 0.65 F2RL3 (0.51) DYRK1AAHRF2RL3HDAC6ILK

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 6 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
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 802/4885AHR 311/4885CSNK2A2 2722/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 DYRK1A 1691/4885AHR 236/4885CSNK2A2 2468/4885

“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.