SCHEMBL5530438

SCHEMBL5530438

Cc1onc(-c2ccccc2)c1NC(N)=S

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51
PTGS2 P35354 2/20 0.50
PTGS1 P23219 1/20 0.50
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NTRK1 P04629 2/20 0.48
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPK14 Q16539 1/20 0.43
MT-CO2 P00403 1/20 0.43
IDH1 O75874 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5527223 0.85 MEN1 (0.61) MEN1KMT2AGAANPSR1PTGS2
SCHEMBL4029460 0.83 NPSR1 (0.61) MEN1KMT2AGAANPSR1PTGS2
SCHEMBL17790727 0.78 MAPT (0.60) MEN1KMT2AGAANPSR1PTGS2
SCHEMBL857261 0.77 PTGS2 (0.59) MEN1KMT2AGAANPSR1PTGS2
SCHEMBL5526170 0.73 BRD4 (0.39) KMT2ANPSR1MAPTHTTALDH1A1
SCHEMBL4037282 0.72 MAPT (0.52) MEN1KMT2AGAANPSR1MAPT
Trifluoroacetic Acid SCHEMBL2890639 0.72 NTRK1 (0.63) MEN1KMT2AGAANPSR1MAPT
SCHEMBL1912284 0.72 NTRK1 (0.61) MEN1KMT2AGAANPSR1MAPT
SCHEMBL4034765 0.72 NPSR1 (0.58) NPSR1MAPTTSHRHTTNTRK1
SCHEMBL20507227 0.71 KMT2A (0.59) MEN1KMT2AGAAPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MEN1 647/4885KMT2A 792/4885GAA 266/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MEN1 734/4885KMT2A 693/4885GAA 484/4885

“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.