SCHEMBL2634646

SCHEMBL2634646

C[C@H](Nc1ccc(N)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.72
JAK2 O60674 2/20 0.64
JAK3 P52333 1/20 0.64
IGF1R P08069 3/20 0.51

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
SCHEMBL3127022 0.92 NTRK1 (0.68) NTRK1JAK2JAK3IGF1R
SCHEMBL5030897 0.90 NTRK1 (0.75) NTRK1JAK2JAK3IGF1R
SCHEMBL4696037 0.85 NTRK1 (0.85) NTRK1JAK2JAK3IGF1R
SCHEMBL2572103 0.85 NTRK1 (0.66) NTRK1JAK2JAK3
SCHEMBL4694139 0.85 NTRK1 (0.82) NTRK1JAK2JAK3IGF1R
SCHEMBL2634279 0.85 NTRK1 (0.82) NTRK1JAK2JAK3IGF1R
SCHEMBL2572107 0.85 NTRK1 (0.66) NTRK1JAK2JAK3
SCHEMBL2634350 0.84 NTRK1 (1.00) NTRK1JAK2JAK3IGF1R
SCHEMBL22535451 0.84 NTRK1 (0.67) NTRK1JAK2JAK3IGF1R
SCHEMBL3129694 0.83 NTRK1 (0.85) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835465-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2014-09-16 US disclosed
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-11 US disclosed
US-8324252-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2012-12-04 US disclosed
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
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 US disclosed
US-20080108669-A1 Use 541 ASTRAZENECA AB (SE) 2008-05-08 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 (5 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-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK NTRK1 86/4885JAK2 341/4885JAK3 697/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 NTRK1 1107/4885JAK2 226/4885JAK3 263/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS NTRK1 4681/4885JAK2 873/4885JAK3 2429/4885
US-20080108669-A1 Use 541 TRPV1, P2RX3, P2RX5 NTRK1 3837/4885JAK2 1797/4885JAK3 2868/4885

“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.