SCHEMBL2546746

SCHEMBL2546746

Fc1cc(F)cc(CNc2ccc3[nH]cnc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.47
IP6K1 Q92551 1/20 0.44
NTRK3 Q16288 3/20 0.44
NTRK2 Q16620 2/20 0.44
QPCT Q16769 4/20 0.43
CLK1 P49759 7/20 0.42
DYRK1A Q13627 6/20 0.42
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2538625 0.82 IP6K1 (0.63) NTRK1IP6K1NTRK3NTRK2QPCT
SCHEMBL2540200 0.80 RAB9A (0.54) IP6K1QPCTPOLBSMN1; SMN2
SCHEMBL2538614 0.80 NPC1 (0.56) IP6K1QPCTPOLBHTTSMN1; SMN2
SCHEMBL2539436 0.78 MAPT (0.56) NTRK1IP6K1NTRK3NTRK2QPCT
SCHEMBL2536231 0.77 QPCT (0.67) NTRK1IP6K1NTRK3NTRK2QPCT
SCHEMBL2543223 0.77 IP6K1 (0.47) NTRK1IP6K1QPCT
SCHEMBL2545578 0.77 INSR (0.50) IP6K1QPCT
SCHEMBL2545579 0.77 RAB9A (0.55) IP6K1QPCTHTTSMN1; SMN2
SCHEMBL2543317 0.77 KMT2A (0.58) IP6K1QPCTHTTSMN1; SMN2
SCHEMBL2544226 0.77 IP6K1 (0.36) NTRK1IP6K1QPCTPOLBHTT

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 NTRK1 4129/4885IP6K1 2750/4885NTRK3 3465/4885

“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.