SCHEMBL57380

SCHEMBL57380

C[C@H](Nc1ncc2nnn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.62
IGF1R P08069 3/20 0.45
JAK2 O60674 2/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL27689887 0.87 NTRK1 (0.81) NTRK1IGF1RJAK2
SCHEMBL4696858 0.87 NTRK1 (0.81) NTRK1IGF1RJAK2
SCHEMBL4696821 0.87 NTRK1 (0.81) NTRK1IGF1RJAK2
SCHEMBL27709798 0.85 NTRK1 (0.61) NTRK1IGF1RJAK2
SCHEMBL4697334 0.85 NTRK1 (0.61) NTRK1IGF1RJAK2
SCHEMBL4160397 0.79 NTRK1 (0.50) NTRK1IGF1RJAK2JAK3
SCHEMBL3772425 0.77 NTRK1 (1.00) NTRK1JAK2JAK3
SCHEMBL3812515 0.77 NTRK1 (1.00) NTRK1JAK2JAK3
SCHEMBL3779322 0.75 NTRK1 (1.00) NTRK1JAK2JAK3
SCHEMBL57840 0.75 NTRK1 (0.59) NTRK1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122892-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-8129403-B2 e.g. 2-[9-(5-Cyclopropyl-1H-pyrazol-3-yl)-6-methyl-9H-purin-2-ylamino]-2-(4-fluorophenyl)ethanol; tropomyosin-related kinases (Trk's) inhibitor; anticarcinoganic agent; solid tumors and leukemia ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-20080176872-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-07-24 US disclosed
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 4732/4885IGF1R 3024/4885JAK2 812/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS NTRK1 4681/4885IGF1R 2806/4885JAK2 873/4885

“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.