SCHEMBL4077949

SCHEMBL4077949

CC(Nc1nc(N)c(Cl)c(-c2cc(C(C)(C)C)n[nH]2)n1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 5/20 0.39
HTR7 P34969 3/20 0.38
IDH1 O75874 1/20 0.36
NTRK1 P04629 3/20 0.36
AURKA O14965 1/20 0.36
NUDT1 P36639 1/20 0.36
MAPK1 P28482 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KCNN3 Q9UGI6 1/20 0.34
RPS6KB1 P23443 1/20 0.34
IGF1R P08069 3/20 0.34
LCK P06239 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4066295 0.77 HTR7 (0.47) GRK6HTR7NTRK1AURKAADRA1D
SCHEMBL4064986 0.71 NTRK1 (0.53) GRK6HTR7NTRK1AURKAADRA1D
SCHEMBL4067495 0.70 IGF1R (0.43) HTR7IDH1NTRK1NUDT1MAPK1
SCHEMBL4075051 0.69 MAPK13 (0.41) IDH1NTRK1IGF1R
SCHEMBL23217114 0.69 NTRK1 (0.57) GRK6IDH1NTRK1AURKAIGF1R
Hydrochloric Acid SCHEMBL5471518 0.67 HTR7 (0.50) HTR7IDH1NUDT1ADRA1DADRA1A
SCHEMBL7016449 0.66 IDH1 (0.55) GRK6HTR7IDH1NUDT1ADRA1D
SCHEMBL4224432 0.65 HTR7 (0.43) HTR7IDH1NUDT1ADRA1DADRA1A
SCHEMBL4151428 0.64 NTRK1 (0.49) NTRK1IGF1R
SCHEMBL31294175 0.64 MAPK1 (0.33) IDH1NUDT1MAPK1KCNN3HPGD

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 13 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
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-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
EP-3368039-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME The Regents of The University of Colorado, A Body Corporate (US) 2018-09-05 EP disclosed
WO-2017075107-A9 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-08-02 WO 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-20170260589-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME ARRAY BIOPHARMA, INC. 2017-09-14 US disclosed
WO-2017075107-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NANDA NISHA (US) 2017-05-04 WO disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain ASTRAZENECA AB (SE) 2009-01-01 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 (8 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-10907215-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 GRK6 151/4885HTR7 819/4885IDH1 3101/4885
US-20210164055-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 GRK6 155/4885HTR7 827/4885IDH1 3064/4885
US-10370727-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 GRK6 151/4885HTR7 819/4885IDH1 3101/4885
US-20180142306-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 GRK6 151/4885HTR7 819/4885IDH1 3101/4885
US-10378068-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 GRK6 155/4885HTR7 827/4885IDH1 3064/4885
US-20170260589-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 GRK6 151/4885HTR7 819/4885IDH1 3101/4885
US-10724102-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 GRK6 155/4885HTR7 827/4885IDH1 3064/4885
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP GRK6 3552/4885HTR7 845/4885IDH1 2010/4885

“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.