SCHEMBL784168

SCHEMBL784168

CC(C)Oc1cc(-c2cnc(NC(C)c3ncc(F)cn3)nc2N)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.50
JAK2 O60674 13/20 0.45
JAK3 P52333 7/20 0.45
AURKA O14965 4/20 0.43
RET P07949 2/20 0.43
FGFR1 P11362 2/20 0.43
FLT3 P36888 2/20 0.43
PTK2 Q05397 2/20 0.43
TNK2 Q07912 2/20 0.43
PLK4 O00444 1/20 0.43
STK10 O94804 1/20 0.43
PAK4 O96013 1/20 0.43
FER P16591 1/20 0.43
CSNK2A2 P19784 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
STAT3 P40763 1/20 0.43
STAT5A P42229 1/20 0.43
CDK3 Q00526 1/20 0.43
STK4 Q13043 1/20 0.43

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
SCHEMBL220866 0.81 JAK2 (0.61) NTRK1JAK2JAK3AURKARET
SCHEMBL29528815 0.76 DHFR (0.39) FGFR1CDK9CDK5
SCHEMBL3349894 0.74 JAK2 (0.75) NTRK1JAK2JAK3AURKARET
SCHEMBL219911 0.74 JAK2 (0.75) NTRK1JAK2JAK3AURKARET
SCHEMBL3349448 0.74 JAK2 (0.75) NTRK1JAK2JAK3AURKARET
SCHEMBL3345053 0.74 JAK2 (0.75) NTRK1JAK2JAK3AURKARET
SCHEMBL3774696 0.73 NTRK1 (0.72) NTRK1JAK2JAK3FGFR1FLT3
SCHEMBL24609025 0.70 NTRK1 (0.51) NTRK1JAK2JAK3AURKARET
SCHEMBL3776063 0.69 NTRK1 (0.41) NTRK1JAK2JAK3AURKARET
SCHEMBL589564 0.69 NTRK1 (0.63) NTRK1JAK2JAK3AURKARET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA R&D (SE) 2012-03-22 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-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 NTRK1 734/4885JAK2 42/4885JAK3 14/4885

“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.