SCHEMBL5033895

SCHEMBL5033895

CC(C)Oc1cc(Nc2nc(NC(CO)c3ccc(F)cc3)c(C(N)=O)cc2F)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.41
JAK3 P52333 3/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
NTRK1 P04629 12/20 0.41
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
CDK2 P24941 1/20 0.35
GRK6 P43250 2/20 0.35

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
SCHEMBL5033893 1.00 JAK2 (0.41) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2577239 0.90 JAK2 (0.52) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2577242 0.90 JAK2 (0.52) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2561629 0.86 JAK2 (0.42) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2561614 0.86 JAK2 (0.42) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2486913 0.84 JAK3 (0.59) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2488091 0.84 JAK3 (0.59) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2579832 0.84 NTRK1 (0.48) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2579831 0.84 NTRK1 (0.48) JAK2JAK3LIMK1LIMK2NTRK1
SCHEMBL2571585 0.82 NTRK1 (0.61) JAK2JAK3NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383268-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2015-09-02 EP disclosed
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-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 (3 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-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 JAK2 341/4885JAK3 697/4885LIMK1 296/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 JAK2 226/4885JAK3 263/4885LIMK1 490/4885
US-20080108669-A1 Use 541 TRPV1, P2RX3, P2RX5 JAK2 1797/4885JAK3 2868/4885LIMK1 1569/4885

“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.