SCHEMBL57014

SCHEMBL57014

C[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2c1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.55
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
JAK2 O60674 3/20 0.43
JAK3 P52333 2/20 0.43
LCK P06239 2/20 0.39

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
SCHEMBL56396 0.87 NTRK1 (0.53) NTRK1AURKAAURKBJAK2JAK3
SCHEMBL4694092 0.86 NTRK1 (0.48) NTRK1
SCHEMBL57840 0.86 NTRK1 (0.59) NTRK1AURKAAURKBJAK2JAK3
SCHEMBL57581 0.83 NTRK1 (0.49) NTRK1AURKAAURKBJAK2JAK3
SCHEMBL56513 0.83 JAK2 (0.52) NTRK1AURKAAURKBJAK2JAK3
SCHEMBL4696616 0.83 AURKA (0.47) NTRK1AURKAAURKBJAK2JAK3
SCHEMBL57024 0.82 JAK2 (0.51) NTRK1AURKAAURKBJAK2JAK3
SCHEMBL4750903 0.82 NTRK1 (0.79) NTRK1JAK2JAK3
SCHEMBL57234 0.82 NTRK1 (0.54) NTRK1AURKAAURKBJAK2JAK3
SCHEMBL4699080 0.82 NTRK1 (0.52) NTRK1JAK2LCK

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 7 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
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 4732/4885AURKA 159/4885AURKB 59/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS NTRK1 4681/4885AURKA 185/4885AURKB 66/4885

“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.