SCHEMBL4068448

SCHEMBL4068448

C[C@H](Nc1ncc(Br)c(Nc2cc(C3CC3)n[nH]2)n1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.54
IGF1R P08069 12/20 0.54
JAK2 O60674 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
SCHEMBL29794774 1.00 NTRK1 (0.54) NTRK1IGF1RJAK2
SCHEMBL29794681 0.87 NTRK1 (0.71) NTRK1IGF1RJAK2
SCHEMBL3338860 0.87 NTRK1 (0.71) NTRK1IGF1RJAK2
SCHEMBL4159901 0.84 NTRK1 (0.76) NTRK1IGF1R
SCHEMBL11344449 0.77 IGF1R (0.73) NTRK1IGF1R
SCHEMBL4462307 0.77 IGF1R (0.58) IGF1R
SCHEMBL4075161 0.77 IGF1R (0.54) NTRK1IGF1R
SCHEMBL4074195 0.77 NTRK1 (0.69) NTRK1IGF1RJAK2
SCHEMBL11932346 0.76 IGF1R (0.52) NTRK1IGF1R
SCHEMBL30010649 0.76 IGF1R (0.71) NTRK1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158756-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2024-05-16 US disclosed
US-20210164055-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME ARRAY BIOPHARMA, INC. 2021-06-03 US disclosed
WO-2021072238-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2021-04-15 WO disclosed
US-10724102-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same LOXO ONCOLOGY, INC. (US) 2020-07-28 US disclosed
US-10655186-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same LOXO ONCOLOGY, INC. (US) 2020-05-19 US disclosed
US-10378068-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same LOXO ONCOLOGY, INC. (US) 2019-08-13 US disclosed
US-10370727-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same LOXO ONCOLOGY, INC. (US) 2019-08-06 US disclosed
US-20180142306-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME ARRAY BIOPHARMA INC. 2018-05-24 US disclosed
US-20180119228-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME ARRAY BIOPHARMA, INC. 2018-05-03 US disclosed
US-20180030548-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME ARRAY BIOPHARMA, INC. 2018-02-01 US disclosed
US-20180030549-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME ARRAY BIOPHARMA, INC. 2018-02-01 US disclosed
US-20170260589-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME ARRAY BIOPHARMA, INC. 2017-09-14 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-20050250729-A1 Novel adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2005-11-10 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 (12 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-20180030548-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 NTRK1 2/4885IGF1R 404/4885JAK2 1349/4885
US-20180119228-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 NTRK1 2/4885IGF1R 417/4885JAK2 1312/4885
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS ADORA3, ADORA1, ADORA2A NTRK1 947/4885IGF1R 346/4885JAK2 1016/4885
US-20210164055-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 NTRK1 2/4885IGF1R 404/4885JAK2 1349/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 NTRK1 1117/4885IGF1R 1263/4885JAK2 1705/4885
US-20180030549-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 NTRK1 2/4885IGF1R 404/4885JAK2 1349/4885
US-10370727-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885IGF1R 417/4885JAK2 1312/4885
US-20180142306-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 NTRK1 2/4885IGF1R 417/4885JAK2 1312/4885
US-10655186-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885IGF1R 404/4885JAK2 1349/4885
US-10378068-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885IGF1R 404/4885JAK2 1349/4885
US-20170260589-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 NTRK1 2/4885IGF1R 417/4885JAK2 1312/4885
US-10724102-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885IGF1R 404/4885JAK2 1349/4885

“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.