SCHEMBL20909486

SCHEMBL20909486

CCOC(=O)c1cnn2cc(Br)cc(Br)c12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 2/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NR1H2 P55055 1/20 0.42
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
MAP2K1 Q02750 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL23501291 0.88 TSHR (0.44) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL31393197 0.87 TSHR (0.43) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL18390935 0.87 ALDH1A1 (0.41) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL1845566 0.86 TSHR (0.43) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL25287018 0.86 EGFR (0.43) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL25780799 0.85 ALDH1A1 (0.42) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL22113072 0.80 MEN1 (0.44) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL25786093 0.78 DRD2 (0.53) TSHRKMT2AALDH1A1RAB9AHPGD
SCHEMBL2288847 0.77 LMNA (0.49) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL14033767 0.77 ALDH1A1 (0.55) TSHRMEN1KMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202788-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE LOXO ONCOLOGY, INC. 2022-06-30 US disclosed
US-20220087988-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE LOXO ONCOLOGY, INC. 2022-03-24 US disclosed
US-20210077474-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE LOXO ONCOLOGY, INC. 2021-03-18 US disclosed
US-10786489-B2 Formulations of 6-(2-hydroxy-2-methylpropxy)-4-(6-(6-((6-methoxypyridin-3-yl)methyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridin-3-yl)pyrazolo[1,5-A]pyridine-3-carbonitrile LOXO ONCOLOGY INC. (US) 2020-09-29 US disclosed
US-20190262322-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE LOXO ONCOLOGY, INC. 2019-08-29 US disclosed
WO-2019075114-A1 FORMULATIONS COMPRISING 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZAB ICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE REYNOLDS MARK (US) 2019-04-18 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-20220202788-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE RET, ALK, BRAF TSHR 2265/4885MEN1 306/4885KMT2A 540/4885
US-20190262322-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE RET, ALK, BRAF TSHR 2265/4885MEN1 306/4885KMT2A 540/4885
US-20220087988-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE RET, ALK, BRAF TSHR 2265/4885MEN1 306/4885KMT2A 540/4885
US-20210077474-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE RET, ALK, BRAF TSHR 2265/4885MEN1 306/4885KMT2A 540/4885
US-10786489-B2 Formulations of 6-(2-hydroxy-2-methylpropxy)-4-(6-(6-((6-methoxypyridin-3-yl)methyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridin-3-yl)pyrazolo[1,5-A]pyridine-3-carbonitrile RET, ALK, BRAF TSHR 2314/4885MEN1 323/4885KMT2A 523/4885

“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.