SCHEMBL3699537

SCHEMBL3699537

COC(=O)c1c(N)n[nH]c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
GAA P10253 6/20 0.46
ALDH1A1 P00352 6/20 0.46
GFER P55789 2/20 0.46
MAPT P10636 2/20 0.46
MAPK10 P53779 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 4/20 0.39
MAPK1 P28482 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL11472383 0.82 GAA (0.49) TSHRGAAALDH1A1GFERMAPT
SCHEMBL942577 0.79 PDE4D (0.56) GAAALDH1A1MAPTMAPK10SMN1; SMN2
SCHEMBL20694706 0.79 GRM6 (0.36) TSHRGAAALDH1A1GFERMAPT
SCHEMBL17730892 0.78 TSHR (0.41) TSHRGAAALDH1A1GFERMAPT
SCHEMBL15306998 0.77 GAA (0.34) GAAALDH1A1GFERMAPTMAPK10
SCHEMBL17730533 0.77 TSHR (0.40) TSHRGAAALDH1A1GFERMAPT
SCHEMBL2085520 0.77 L3MBTL1 (0.38) TSHRGAAALDH1A1GFERMAPT
SCHEMBL18895830 0.76 YTHDC1 (0.35) TSHRGAAALDH1A1GFERMAPT
SCHEMBL21585179 0.76 SMN1; SMN2 (0.43) GAAALDH1A1GFERMAPTMAPK10
SCHEMBL9921657 0.75 HTT (0.43) TSHRGAAALDH1A1GFERMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663519-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-05-30 US disclosed
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-4950585-A CYAN COUPLERS COMPRISING IMIDAZO(1,5-A)PYRIMIDINE COMPOUNDS; COLORFASTNESS; HEAT AND HUMIDITY RESISTANCE; COLOR PHOTOGRAPHY KONICA CORPORATION (JP) 1990-08-21 US disclosed
EP-0304001-A2 Coupler for photographic use KONICA CORPORATION (JP) 1989-02-22 EP 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 TSHR 1117/4885GAA 3330/4885ALDH1A1 1773/4885

“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.