SCHEMBL3775405

SCHEMBL3775405

Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc(NC3CCOCC3)c2[N+](=O)[O-])n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.60
JAK3 P52333 15/20 0.55
JAK2 O60674 14/20 0.55
CDK2 P24941 3/20 0.49
AURKA O14965 1/20 0.49
GRK6 P43250 1/20 0.49
MUSK O15146 1/20 0.49
LCK P06239 1/20 0.49
RET P07949 1/20 0.49
FGFR3 P22607 1/20 0.49
CCNE1 P24864 1/20 0.49
FLT3 P36888 1/20 0.49
PTK2B Q14289 1/20 0.49
AURKB Q96GD4 2/20 0.48
STAT5B P51692 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
SCHEMBL3776169 0.85 JAK3 (0.72) NTRK1JAK3JAK2CDK2MUSK
SCHEMBL3772448 0.82 JAK3 (0.57) NTRK1JAK3JAK2CDK2AURKA
SCHEMBL3773338 0.78 JAK3 (0.53) NTRK1JAK3JAK2CDK2AURKA
SCHEMBL3664305 0.78 PLK4 (0.44) NTRK1AURKAAURKB
SCHEMBL3028266 0.76 JAK3 (0.70) NTRK1JAK3JAK2CDK2AURKA
SCHEMBL13014406 0.75 NTRK1 (1.00) NTRK1JAK3JAK2
SCHEMBL3772159 0.73 JAK3 (0.61) NTRK1JAK3JAK2CDK2AURKA
SCHEMBL3033142 0.73 NTRK1 (0.78) NTRK1JAK3JAK2CDK2AURKA
SCHEMBL3774509 0.72 JAK2 (0.52) NTRK1JAK3JAK2CDK2MUSK
SCHEMBL588686 0.72 JAK3 (0.68) NTRK1JAK3JAK2CDK2AURKA

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 NTRK1 4667/4885JAK3 363/4885JAK2 15/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L NTRK1 4667/4885JAK3 363/4885JAK2 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 NTRK1 4038/4885JAK3 170/4885JAK2 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.