SCHEMBL458798

SCHEMBL458798

CCOC(=O)c1cc2cccc(S(C)(=O)=O)c2nc1-c1cccnc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TGFBR1 P36897 1/20 0.39
TDP2 O95551 4/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38

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
SCHEMBL16712443 0.86 DHODH (0.42) TSHRALDH1A1MAPTGAAKDM4E
SCHEMBL458735 0.83 TGFBR1 (0.43) TSHRTGFBR1CYP1A2TP53MAOA
SCHEMBL458823 0.82 NPC1 (0.48) CYP1A2POLBTP53ALDH1A1MAPT
SCHEMBL27905393 0.80 TSHR (0.44) TSHRPOLBALDH1A1MAPTMAPK1
SCHEMBL461787 0.79 MEN1 (0.41) TSHRMAPTGAAKDM4EHTT
SCHEMBL456274 0.76 FABP1 (0.41) ALDH1A1MAPTGAAKDM4EMAPK1
SCHEMBL11908675 0.72 CCR1 (0.53) TSHRPOLBTP53ALDH1A1KDM4E
SCHEMBL15363618 0.71 PIK3CD (0.40) MAPK1SLC40A1
SCHEMBL6822984 0.69 ALDH1A1 (0.60) TSHRCYP1A2POLBTP53ALDH1A1
SCHEMBL28912380 0.68 TSHR (0.52) TSHRMAOAMAOBALDH1A1MAPT

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-9029392-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-05-12 US disclosed
US-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-11-07 US disclosed
EP-2614061-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2013-07-17 EP disclosed
WO-2012032334-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2012-03-15 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-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors MAP3K13, MAP4K3, MAP3K3 TSHR 2795/4885TGFBR1 4717/4885TDP2 820/4885

“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.