SCHEMBL2332818

SCHEMBL2332818

C[C@H](Nc1nc(Cl)cc(N2CCOCC2)n1)c1ncc(F)cn1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.65
JAK3 P52333 11/20 0.64
KCNH2 Q12809 1/20 0.50
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
NTRK1 P04629 1/20 0.45
JAK1 P23458 1/20 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
SCHEMBL2342122 0.86 JAK2 (0.67) JAK2JAK3KCNH2RAF1BRAF
SCHEMBL3006004 0.86 JAK2 (0.67) JAK2JAK3KCNH2RAF1BRAF
SCHEMBL4421973 0.81 JAK2 (0.54) JAK2JAK3KCNH2MAPTNTRK1
SCHEMBL2160844 0.81 JAK2 (0.54) JAK2JAK3KCNH2MAPTNTRK1
SCHEMBL2338534 0.80 JAK2 (0.65) JAK2JAK3KCNH2NTRK1
SCHEMBL3671795 0.80 JAK2 (0.65) JAK2JAK3KCNH2NTRK1
SCHEMBL13494392 0.80 JAK3 (0.71) JAK2JAK3KCNH2NTRK1JAK1
SCHEMBL2339473 0.79 JAK2 (1.00) JAK2JAK3KCNH2NTRK1JAK1
SCHEMBL220863 0.78 JAK3 (1.00) JAK2JAK3KCNH2NTRK1JAK1
SCHEMBL2161854 0.77 JAK2 (0.54) JAK2JAK3KCNH2MAPTNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152702-B1 AMINO-THIAZOLYL- PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2011-08-24 EP disclosed
US-20100204231-A1 AMINO-THIAZOLYL-PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-08-12 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 (1 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-20100204231-A1 AMINO-THIAZOLYL-PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER THPO, TYMP, TPMT JAK2 8/4885JAK3 31/4885KCNH2 3980/4885

“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.