SCHEMBL3774173

SCHEMBL3774173

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)c(Cl)cc2[N+](=O)[O-])n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.53
NTRK1 P04629 11/20 0.49
JAK2 O60674 11/20 0.48
AURKA O14965 2/20 0.48
NTRK3 Q16288 2/20 0.48
NTRK2 Q16620 2/20 0.48
LCK P06239 2/20 0.48
RET P07949 2/20 0.48
FLT3 P36888 2/20 0.48
FYN P06241 1/20 0.48
IGF1R P08069 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
LTK P29376 1/20 0.48
KDR P35968 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CLK2 P49760 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
CDK5 Q00535 1/20 0.48

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
SCHEMBL3025255 0.90 JAK3 (0.54) JAK3NTRK1JAK2AURKANTRK3
SCHEMBL4748708 0.88 NTRK1 (0.54) JAK3NTRK1JAK2AURKA
SCHEMBL3137771 0.85 NTRK1 (0.54) JAK3NTRK1JAK2AURKA
SCHEMBL3020117 0.82 JAK3 (0.55) JAK3NTRK1JAK2AURKALCK
SCHEMBL31060183 0.80 NTRK1 (0.73) JAK3NTRK1JAK2AURKANTRK3
SCHEMBL18281508 0.80 NTRK1 (0.73) JAK3NTRK1JAK2AURKANTRK3
SCHEMBL29434985 0.80 NTRK1 (0.73) JAK3NTRK1JAK2AURKANTRK3
SCHEMBL588730 0.80 NTRK1 (0.73) JAK3NTRK1JAK2AURKANTRK3
SCHEMBL3008289 0.80 NTRK1 (0.44) JAK3NTRK1JAK2AURKANTRK3
SCHEMBL3766933 0.79 NTRK1 (0.50) JAK3NTRK1JAK2AURKANTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011545-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2015-01-08 US disclosed
US-20140155394-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2014-06-05 US disclosed
US-8486966-B2 9-(pyrazol-3-yl)-9H-purine-2-amine and 3-(pyrazol-3-yl) -3H-imidazo[4,5-B] pyridin-5-amine derivatives and their use for the treatment of cancer ASTRAZENECA AB (SE) 2013-07-16 US disclosed
US-20100324040-A1 9-(PYRAZOL-3-YL)-9H-PURINE-2-AMINE AND 3-(PYRAZOL-3-YL) -3H-IMIDAZO[4,5-B] PYRIDIN-5- AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-12-23 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-20150011545-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L JAK3 363/4885NTRK1 4667/4885JAK2 15/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L JAK3 363/4885NTRK1 4667/4885JAK2 15/4885
US-20100324040-A1 9-(PYRAZOL-3-YL)-9H-PURINE-2-AMINE AND 3-(PYRAZOL-3-YL) -3H-IMIDAZO[4,5-B] PYRIDIN-5- AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER THPO, MPL, MCL1 JAK3 170/4885NTRK1 4038/4885JAK2 81/4885

“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.