SCHEMBL2634156

SCHEMBL2634156

C[C@H](Nc1ccc([N+](=O)[O-])c(Nc2cc(C3CC3)[nH]n2)c1)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 15/20 0.72
▸ JAK2 O60674 2/20 0.52
▸ JAK3 P52333 2/20 0.52
▸ IGF1R P08069 3/20 0.42

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
SCHEMBL2634599 0.87 NTRK1 (0.69) NTRK1JAK2JAK3IGF1R
SCHEMBL4696529 0.87 NTRK1 (0.57) NTRK1JAK2JAK3IGF1R
SCHEMBL4696527 0.87 NTRK1 (0.57) NTRK1JAK2JAK3IGF1R
SCHEMBL2634459 0.86 NTRK1 (0.71) NTRK1JAK2JAK3IGF1R
SCHEMBL2634428 0.85 NTRK1 (0.71) NTRK1JAK2JAK3IGF1R
SCHEMBL17044023 0.84 NTRK1 (0.88) NTRK1JAK2JAK3IGF1R
SCHEMBL3130155 0.84 NTRK1 (0.88) NTRK1JAK2JAK3IGF1R
SCHEMBL56941 0.84 NTRK1 (0.60) NTRK1IGF1R
SCHEMBL2634458 0.84 NTRK1 (0.60) NTRK1JAK2JAK3IGF1R
SCHEMBL2634350 0.84 NTRK1 (1.00) NTRK1JAK2JAK3IGF1R

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 4732/4885JAK2 812/4885JAK3 2364/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS NTRK1 4681/4885JAK2 873/4885JAK3 2429/4885

“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.

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