SCHEMBL2536231

SCHEMBL2536231

Fc1ccc(CNc2ccc3nc[nH]c3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 11/20 0.67
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
IP6K1 Q92551 1/20 0.50
CDK1 P06493 1/20 0.49
LMNA P02545 1/20 0.48
P2RY14 Q15391 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46

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
SCHEMBL2538430 0.86 QPCT (0.67) QPCTSMN1; SMN2IP6K1P2RY14
SCHEMBL2539376 0.86 QPCT (0.67) QPCTPOLBSMN1; SMN2IP6K1LMNA
SCHEMBL2541690 0.86 QPCT (0.54) QPCTPOLBHTTSMN1; SMN2IP6K1
SCHEMBL24821371 0.84 ADRA2A (0.51) QPCTHTTSMN1; SMN2IP6K1LMNA
SCHEMBL2541359 0.82 QPCT (0.69) QPCTSMN1; SMN2LMNAP2RY14
SCHEMBL2542456 0.81 CYP3A4 (0.61) QPCTIP6K1LMNAP2RY14
SCHEMBL2540163 0.78 QPCT (0.71) QPCTPOLB
SCHEMBL2546746 0.77 NTRK1 (0.47) QPCTPOLBHTTSMN1; SMN2IP6K1
SCHEMBL30051147 0.76 ADRA2A (0.51) QPCTPOLBHTTSMN1; SMN2CDK1
SCHEMBL28931425 0.76 ADRA2A (0.51) QPCTPOLBHTTSMN1; SMN2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 US disclosed
EP-2560953-A2 NOVEL INHIBITORS Probiodrug AG (DE) 2013-02-27 EP disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 WO disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 US disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 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 (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-20110262388-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885POLB 1231/4885HTT 1772/4885

“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.