SCHEMBL1880602

SCHEMBL1880602

OCc1cc2cccc(Cl)c2nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 2/20 0.40
BRAF P15056 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
PIK3CD O00329 3/20 0.37
TP53 P04637 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAP2K4 P45985 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL19413117 0.85 DHODH (0.46) DHODHNR1H2NR1H3PIK3CDTP53
SCHEMBL1313748 0.85 PNMT (0.42) DHODHCYP3A4PIK3CDADORA2AADORA1
SCHEMBL4185246 0.85 PIK3CD (0.50) MEN1KMT2ACYP3A4CYP2C9PIK3CD
SCHEMBL455643 0.85 CYP11B1 (0.43) MEN1KMT2ACYP3A4CYP2C9ADORA2A
SCHEMBL1887862 0.82 MEN1 (0.48) MEN1KMT2APIK3CDPDCD1CD274
SCHEMBL1889250 0.81 MEN1 (0.43) DHODHMEN1KMT2ACYP2C9PIK3CD
SCHEMBL4171072 0.80 PIK3CD (0.42) MEN1KMT2APIK3CDADORA2AADORA1
SCHEMBL1886805 0.79 KMT2A (0.46) MEN1KMT2ACYP3A4CYP2C9PIK3CD
SCHEMBL1886897 0.78 PDE10A (0.46) MEN1KMT2ACYP2C9PIK3CDKDM4E
SCHEMBL1880472 0.78 ALDH1A1 (0.40) MEN1KMT2ACYP2C9ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 US disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 US disclosed
EP-2231641-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2010-09-29 EP disclosed
WO-2009081105-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-07-02 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 (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-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE DHODH 818/4885MEN1 1813/4885KMT2A 1617/4885

“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.