SCHEMBL1877239

SCHEMBL1877239

CON(Cc1ccccc1)c1n[c]nc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 3/20 0.34
MAPK1 P28482 1/20 0.34
CRHR1 P34998 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
AOC3 Q16853 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.32
G6PC1 P35575 1/20 0.32

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
SCHEMBL9853509 0.68 TSHR (0.50) ALDH1A1L3MBTL1TSHRMAPK1KDM4E
SCHEMBL1877238 0.67 TSHR (0.33) ALDH1A1L3MBTL1TSHRMAPK1NPSR1
SCHEMBL28280483 0.66 CYP2C19 (0.61) ALDH1A1TSHRNPSR1CYP2C19AOC3
SCHEMBL3765064 0.64 CHRM2 (0.35) ALDH1A1TSHRMAPK1NPSR1KDM4E
SCHEMBL7720132 0.64 MAPT (0.43) ALDH1A1TSHRKDM4EMAPTAOC3
SCHEMBL9463538 0.63 HTR1D (0.46) ALDH1A1L3MBTL1TSHRCYP2C19AOC3
SCHEMBL10660626 0.61 TSHR (0.54) ALDH1A1TSHRMAPK1KDM4EGAA
SCHEMBL400749 0.61 TSHR (0.54) ALDH1A1TSHRMAPK1KDM4EGAA
SCHEMBL112375 0.60 TSHR (0.58) ALDH1A1TSHRMAPK1KDM4EGAA
Hydrochloric Acid SCHEMBL7899272 0.60 TSHR (0.52) ALDH1A1TSHRMAPK1KDM4EGAA

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 ALDH1A1 4276/4885L3MBTL1 3240/4885TSHR 3284/4885

“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.