Sugi Predict

Sugi Predict / Compounds / SCHEMBL3775237

SCHEMBL3775237

SCHEMBL3775237

C[C@H](Nc1nc(N)c([N+](=O)[O-])c(-c2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 14/20 0.52
▸ JAK2 O60674 6/20 0.46
▸ JAK3 P52333 4/20 0.46
▸ PAK3 O75914 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ PAK2 Q13177 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ RET P07949 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK9 P50750 1/20 0.36

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
SCHEMBL3667400 1.00 NTRK1 (0.52) NTRK1JAK2JAK3PAK3PAK1
SCHEMBL3781156 0.89 JAK2 (0.50) NTRK1JAK2JAK3AURKARET
SCHEMBL4073888 0.88 NTRK1 (0.53) NTRK1JAK2JAK3IGF1R
SCHEMBL3771623 0.85 NTRK1 (0.50) NTRK1JAK2JAK3
SCHEMBL3015513 0.83 NTRK1 (0.49) NTRK1JAK2JAK3LCKRET
SCHEMBL3012762 0.82 NTRK1 (0.50) NTRK1JAK2JAK3LCKRET
SCHEMBL589564 0.81 NTRK1 (0.63) NTRK1JAK2JAK3PAK3PAK1
SCHEMBL4696504 0.79 CYP1A2 (0.49) NTRK1PRKCQ
SCHEMBL589589 0.76 NTRK1 (0.47) NTRK1JAK2JAK3PAK3PAK1
SCHEMBL22535637 0.76 NTRK1 (0.71) NTRK1JAK2JAK3PAK3PAK1

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 4667/4885JAK2 15/4885JAK3 363/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L NTRK1 4667/4885JAK2 15/4885JAK3 363/4885
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 4038/4885JAK2 81/4885JAK3 170/4885

“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.