SCHEMBL3337098

SCHEMBL3337098

C[C@H](Nc1nc(Nc2cc(C3CC3)n[nH]2)c(Cl)c(NC(CO)CO)n1)c1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.74
GRK6 P43250 1/20 0.42

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
SCHEMBL30009939 1.00 NTRK1 (0.74) NTRK1GRK6
SCHEMBL4065664 1.00 NTRK1 (0.74) NTRK1GRK6
SCHEMBL4068043 0.89 NTRK1 (0.75) NTRK1GRK6
SCHEMBL4076742 0.88 NTRK1 (0.76) NTRK1GRK6
SCHEMBL4073738 0.87 NTRK1 (0.56) NTRK1GRK6
SCHEMBL4069542 0.87 NTRK1 (0.64) NTRK1GRK6
SCHEMBL4156670 0.85 NTRK1 (1.00) NTRK1
SCHEMBL4074781 0.84 NTRK1 (0.65) NTRK1GRK6
SCHEMBL4065458 0.84 NTRK1 (0.61) NTRK1GRK6
SCHEMBL4073723 0.84 NTRK1 (0.53) NTRK1

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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US claimed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP claimed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 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
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-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-20180119228-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME ARRAY BIOPHARMA, INC. 2018-05-03 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-20180030548-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
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP 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 2/4885GRK6 155/4885
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 NTRK1 7/4885GRK6 77/4885
US-20180119228-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 NTRK1 2/4885GRK6 151/4885
US-10907215-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885GRK6 151/4885
US-20210164055-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 NTRK1 2/4885GRK6 155/4885
US-20180030549-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 NTRK1 2/4885GRK6 155/4885
US-10370727-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885GRK6 151/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK NTRK1 15/4885GRK6 69/4885
US-10655186-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885GRK6 155/4885
US-10378068-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885GRK6 155/4885
US-20170260589-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 NTRK1 2/4885GRK6 151/4885
US-10724102-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885GRK6 155/4885

“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.