SCHEMBL3705689

SCHEMBL3705689

OC[C@H](Nc1ncc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.68

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
SCHEMBL27709595 1.00 NTRK1 (0.68) NTRK1
SCHEMBL4697091 0.88 NTRK1 (0.65) NTRK1
SCHEMBL4696821 0.88 NTRK1 (0.81) NTRK1
SCHEMBL4696858 0.88 NTRK1 (0.81) NTRK1
SCHEMBL27689887 0.88 NTRK1 (0.81) NTRK1
SCHEMBL4697331 0.85 NTRK1 (0.67) NTRK1
SCHEMBL4697302 0.85 NTRK1 (0.55) NTRK1
SCHEMBL57294 0.85 NTRK1 (0.51) NTRK1
SCHEMBL57991 0.84 NTRK1 (0.51) NTRK1
SCHEMBL4698140 0.83 NTRK1 (0.66) NTRK1

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-20120122892-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-05-17 US claimed
US-20080176872-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-07-24 US claimed
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP claimed
EP-1853588-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2007-11-14 EP claimed
WO-2006087530-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-24 WO claimed
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 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 (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-20080176872-A1 Chemical Compounds TP53, XPOT, KRAS NTRK1 4732/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS NTRK1 4681/4885

“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.