SCHEMBL56610

SCHEMBL56610

C[C@H](Nc1cc(Nc2cc(C3CC3)[nH]n2)c(N)cc1C#N)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.66
JAK3 P52333 3/20 0.66
NTRK1 P04629 14/20 0.55
LIMK1 P53667 1/20 0.47
LIMK2 P53671 1/20 0.47
IGF1R P08069 3/20 0.41

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
SCHEMBL56611 1.00 JAK2 (0.66) JAK2JAK3NTRK1LIMK1LIMK2
SCHEMBL2634555 0.88 NTRK1 (0.60) JAK2JAK3NTRK1IGF1R
SCHEMBL56774 0.85 JAK2 (0.66) JAK2JAK3NTRK1LIMK1LIMK2
SCHEMBL56775 0.85 JAK2 (0.66) JAK2JAK3NTRK1LIMK1LIMK2
SCHEMBL56660 0.85 NTRK1 (0.64) JAK2JAK3NTRK1LIMK1LIMK2
SCHEMBL56659 0.85 NTRK1 (0.64) JAK2JAK3NTRK1LIMK1LIMK2
SCHEMBL2634458 0.82 NTRK1 (0.60) JAK2JAK3NTRK1IGF1R
SCHEMBL2634508 0.81 NTRK1 (0.62) JAK2JAK3NTRK1IGF1R
SCHEMBL2634665 0.80 NTRK1 (0.60) JAK2JAK3NTRK1IGF1R
SCHEMBL14840573 0.80 JAK2 (1.00) JAK2JAK3NTRK1LIMK1LIMK2

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