SCHEMBL3338355

SCHEMBL3338355

OC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c2ccc(F)cc2n1)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.70
NTRK3 Q16288 2/20 0.57
NTRK2 Q16620 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GRK6 P43250 1/20 0.55

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
SCHEMBL29794656 1.00 NTRK1 (0.70) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL23217099 1.00 NTRK1 (0.70) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL4076751 0.93 NTRK1 (0.66) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL4073828 0.89 NTRK1 (0.63) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL4069819 0.89 NTRK1 (0.63) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL4068937 0.87 NTRK1 (0.72) NTRK1NTRK3NTRK2CYP1A2CYP2D6
SCHEMBL4069073 0.86 NTRK1 (0.72) NTRK1
SCHEMBL4149345 0.86 NTRK1 (0.66) NTRK1
SCHEMBL4151812 0.86 NTRK1 (0.70) NTRK1NTRK3NTRK2
SCHEMBL4070713 0.85 NTRK1 (0.63) NTRK1GRK6

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 34 patents — showing the first 20. 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-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain ASTRAZENECA AB (SE) 2009-01-01 US claimed
EP-1877057-A1 USE OF PYRAZOLYL-PYRIMIDINE DERIVATIVES IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2008-01-16 EP claimed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 US claimed
JP-2007511589-A 2007-05-10 JP claimed
WO-2006115452-A1 USE OF PYRAZOLYL-PYRIMIDINE DERIVATIVES IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-11-02 WO claimed
EP-1686999-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2006-08-09 EP claimed
WO-2005049033-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES ASTRAZENECA AB (SE) 2005-06-02 WO 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
CN-114945378-A Feeder-layer and feeder-layer-free stem cell culture systems for stratified epithelial stem cells and uses related thereto 休斯敦大学体系 2022-08-26 CN 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-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1877057-A1 USE OF PYRAZOLYL-PYRIMIDINE DERIVATIVES IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2008-01-16 EP disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 US disclosed
WO-2006115452-A1 USE OF PYRAZOLYL-PYRIMIDINE DERIVATIVES IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-11-02 WO disclosed
EP-1686999-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2006-08-09 EP disclosed
WO-2005049033-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES ASTRAZENECA AB (SE) 2005-06-02 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 (5 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 NTRK1 7/4885NTRK3 12/4885NTRK2 97/4885
US-10907215-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 NTRK1 2/4885NTRK3 1/4885NTRK2 3/4885
US-20210164055-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 NTRK1 2/4885NTRK3 1/4885NTRK2 3/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK NTRK1 15/4885NTRK3 18/4885NTRK2 132/4885
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP NTRK1 3656/4885NTRK3 3193/4885NTRK2 2479/4885

“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.