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SCHEMBL18443554

SCHEMBL18443554

CC(C)(C)OC(=O)n1c(B(O)O)cc2c(-c3ccccc3F)cccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 12/20 0.39
▸ NR1H3 Q13133 3/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ SCN9A Q15858 2/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TRPV3 Q8NET8 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36

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
SCHEMBL2873485 0.89 NR1H2 (0.40) NR1H2NR1H3CHRM2CHRM4CHRM1
SCHEMBL18442612 0.87 GABRG2 (0.36) NR1H2NR1H3SCN9ASCN5ACCNB2
SCHEMBL18443334 0.85 NR1H2 (0.38) NR1H2NR1H3CHRM2CHRM4CHRM1
SCHEMBL18445225 0.85 NR1H2 (0.41) NR1H2NR1H3CHRM2CHRM4CHRM1
SCHEMBL18437147 0.84 MAPK13 (0.36) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL18482425 0.82 NR1H2 (0.39) NR1H2NR1H3CHRM2CHRM4CHRM1
SCHEMBL18443746 0.81 NR1H2 (0.42) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL18439925 0.81 NR1H2 (0.38) NR1H2NR1H3CHRM2CHRM4CHRM1
SCHEMBL29954668 0.81 NR1H2 (0.40) NR1H2NR1H3CHRM2CHRM4CHRM1
SCHEMBL2878161 0.81 NR1H2 (0.40) NR1H2NR1H3CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604512-B2 3-(1H-indol-2-yl)-1H-indazoles and therapeutic uses thereof SAMUMED, LLC (US) 2020-03-31 — — US disclosed
US-10226453-B2 3-(1H-indol-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-03-12 — — US disclosed
US-10226453-B2 3-(1H-indol-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-03-12 — — US disclosed
US-10166218-B2 3-(1H-indol-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-01-01 — — US disclosed
US-10166218-B2 3-(1H-indol-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-01-01 — — US disclosed
US-20180222891-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-09 — — US disclosed
US-20180222891-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-09 — — US disclosed
US-20180222891-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-09 — — US disclosed
US-20180214428-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-02 — — US disclosed
US-20180214428-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-02 — — US disclosed
US-20180214428-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-02 — — US disclosed
WO-2017023986-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2017-02-09 — — WO disclosed
WO-2017023973-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017023986-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2017-02-09 — — WO disclosed
WO-2017023993-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017023993-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017023973-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017024026-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2017-02-09 — — WO disclosed
WO-2017024026-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2017-02-09 — — 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-20180222891-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A NR1H2 1517/4885NR1H3 1639/4885CHRM2 4736/4885
US-10166218-B2 3-(1H-indol-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A NR1H2 3679/4885NR1H3 3729/4885CHRM2 4326/4885
US-10226453-B2 3-(1H-indol-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A NR1H2 3567/4885NR1H3 3626/4885CHRM2 4462/4885
US-10604512-B2 3-(1H-indol-2-yl)-1H-indazoles and therapeutic uses thereof WNT1, WNT3, WNT3A NR1H2 2418/4885NR1H3 2403/4885CHRM2 4760/4885
US-20180214428-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A NR1H2 3601/4885NR1H3 3662/4885CHRM2 4562/4885

“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.