SCHEMBL2599306

SCHEMBL2599306

COc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 1.00
JAK2 O60674 19/20 1.00
JAK1 P23458 1/20 0.77

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
SCHEMBL2599301 1.00 NTRK1 (1.00) NTRK1JAK2JAK1
SCHEMBL2599244 0.95 NTRK1 (1.00) NTRK1JAK2JAK1
SCHEMBL2599246 0.95 NTRK1 (1.00) NTRK1JAK2JAK1
SCHEMBL2692469 0.95 NTRK1 (1.00) NTRK1JAK2JAK1
SCHEMBL2692479 0.95 NTRK1 (1.00) NTRK1JAK2JAK1
SCHEMBL948135 0.93 NTRK1 (0.87) NTRK1JAK2JAK1
SCHEMBL948132 0.93 NTRK1 (0.87) NTRK1JAK2JAK1
SCHEMBL19547542 0.92 NTRK1 (0.88) NTRK1JAK2JAK1
SCHEMBL19547541 0.92 NTRK1 (0.88) NTRK1JAK2JAK1
SCHEMBL12943753 0.92 NTRK1 (0.88) NTRK1JAK2JAK1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451812-B1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2017-11-08 EP claimed
US-8791123-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-07-29 US claimed
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-05-03 US claimed
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-10907215-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same LOXO ONCOLOGY, INC. (US) 2021-02-02 US disclosed
US-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2020-09-17 US disclosed
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-09-01 US 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
EP-2918588-A1 Macrocyclic compounds as TRK kinase inhibitors Array Biopharma, Inc. (US) 2015-09-16 EP disclosed
US-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA, INC. 2015-01-29 US disclosed
US-8933084-B2 Macrocyclic compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-01-13 US disclosed
EP-2571883-B1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-01-07 EP disclosed
US-8791123-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-07-29 US disclosed
US-20130203776-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2013-08-08 US disclosed
EP-2571883-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-05-03 US disclosed
WO-2011146336-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-11-24 WO 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 (9 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-20130203776-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 NTRK1 31/4885JAK2 127/4885JAK1 460/4885
US-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 NTRK1 31/4885JAK2 127/4885JAK1 460/4885
US-10907215-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885JAK2 1312/4885JAK1 2351/4885
US-20210164055-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 NTRK1 2/4885JAK2 1349/4885JAK1 2460/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K NTRK1 8/4885JAK2 143/4885JAK1 137/4885
US-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors TXK, FRK, LTK NTRK1 7/4885JAK2 124/4885JAK1 139/4885
US-10655186-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885JAK2 1349/4885JAK1 2460/4885
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors LTK, TXK, FRK NTRK1 7/4885JAK2 133/4885JAK1 196/4885
US-10724102-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885JAK2 1349/4885JAK1 2460/4885

“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.