SCHEMBL2335570

SCHEMBL2335570

Cc1cnc(Nc2cc(Cl)nc(N[C@@H](C)c3ccc(F)cn3)n2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.68
JAK2 O60674 11/20 0.67
NTRK1 P04629 6/20 0.47
JAK3 P52333 7/20 0.44
AURKA O14965 4/20 0.44
LCK P06239 3/20 0.44
NTRK3 Q16288 2/20 0.44
NTRK2 Q16620 2/20 0.44
IGF1R P08069 2/20 0.44
RET P07949 2/20 0.44
FLT3 P36888 2/20 0.44
FYN P06241 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
LTK P29376 1/20 0.44
KDR P35968 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CLK2 P49760 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44

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
SCHEMBL3670155 1.00 KCNH2 (0.68) KCNH2JAK2NTRK1JAK3AURKA
SCHEMBL2341964 0.86 KCNH2 (0.54) KCNH2JAK2NTRK1JAK3AURKA
SCHEMBL3668292 0.86 KCNH2 (0.54) KCNH2JAK2NTRK1JAK3AURKA
SCHEMBL2334912 0.82 NTRK1 (0.59) KCNH2JAK2NTRK1JAK3AURKA
SCHEMBL588686 0.80 JAK3 (0.68) JAK2NTRK1JAK3AURKALCK
SCHEMBL3950465 0.76 NTRK1 (0.53) KCNH2JAK2NTRK1JAK3AURKA
SCHEMBL4983768 0.74 JAK3 (0.68) JAK2NTRK1JAK3AURKALCK
SCHEMBL4984204 0.74 JAK2 (0.50) KCNH2JAK2NTRK1JAK3AURKA
SCHEMBL4984208 0.74 JAK2 (0.50) KCNH2JAK2NTRK1JAK3AURKA
SCHEMBL3669132 0.72 JAK2 (0.52) KCNH2JAK2NTRK1JAK3AURKA

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 KCNH2 3980/4885JAK2 8/4885NTRK1 4491/4885

“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.