SCHEMBL4405598

SCHEMBL4405598

CCOc1ccc(F)c(N)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM1A O60341 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
FGFR2 P21802 1/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CREBBP Q92793 1/20 0.40
TDP1 Q9NUW8 3/20 0.39

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
SCHEMBL4410377 0.93 KDM4E (0.50) ALDH1A1KDM1AL3MBTL1MAPTKDM4E
SCHEMBL24240291 0.85 L3MBTL1 (0.47) ALDH1A1KDM1AL3MBTL1MAPTKDM4E
SCHEMBL17527769 0.84 L3MBTL1 (0.48) ALDH1A1KDM1AL3MBTL1MAPTKDM4E
SCHEMBL4412687 0.82 ALDH1A1 (0.41) ALDH1A1KDM1AL3MBTL1MAPTKDM4E
SCHEMBL7736641 0.81 MAPT (0.53) ALDH1A1KDM1AL3MBTL1MAPTKDM4E
SCHEMBL13125478 0.79 L3MBTL1 (0.43) ALDH1A1KDM1AL3MBTL1MAPTKDM4E
SCHEMBL20946425 0.79 AOC3 (0.47) ALDH1A1KDM1AL3MBTL1MAPTKDM4E
SCHEMBL4406719 0.78 HSD17B10 (0.45) ALDH1A1KDM1AL3MBTL1MAPTKDM4E
SCHEMBL14774855 0.78 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTKDM4EGAA
SCHEMBL4885889 0.78 L3MBTL1 (0.42) ALDH1A1KDM1AL3MBTL1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
WO-2014052699-A9 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C IGNYTA, INC. (US) 2015-07-16 WO disclosed
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
WO-2006038112-A1 USE OF KINASE INHIBITORS TO PROMOTE NEOCHONDROGENESIS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 WO disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 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 (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-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE ALDH1A1 4649/4885KDM1A 1114/4885L3MBTL1 3692/4885
US-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 ALDH1A1 1779/4885KDM1A 839/4885L3MBTL1 3772/4885

“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.