SCHEMBL18445225

SCHEMBL18445225

CC(C)(C)OC(=O)n1c(B(O)O)cc2c(-c3ccc(F)cc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.41
NR1H3 Q13133 5/20 0.41
TRPV3 Q8NET8 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL18443334 0.91 NR1H2 (0.38) NR1H2NR1H3CHRM2CHRM4CHRM1
SCHEMBL18439925 0.87 NR1H2 (0.38) NR1H2NR1H3CHRM2CHRM4CHRM1
SCHEMBL18443554 0.85 NR1H2 (0.39) NR1H2NR1H3TRPV3CHRM2CHRM4
SCHEMBL18441917 0.85 CSNK1D (0.38) NR1H2NR1H3
SCHEMBL2873485 0.83 NR1H2 (0.40) NR1H2NR1H3TRPV3CHRM2CHRM4
SCHEMBL18443543 0.83 NR1H2 (0.37) NR1H2NR1H3CHRM2CHRM4CHRM1
SCHEMBL18443868 0.83 MAPK14 (0.40) NR1H2
SCHEMBL18485182 0.82 NR1H2 (0.41) NR1H2NR1H3TRPV3CHRM2CHRM4
SCHEMBL20423209 0.81 NR1H2 (0.34) NR1H2NR1H3
SCHEMBL18437192 0.81 GRIA1 (0.39) NR1H2NR1H3

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 18 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-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-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-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-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

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 1639/4885TRPV3 782/4885
US-10166218-B2 3-(1H-indol-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A NR1H2 3679/4885NR1H3 3729/4885TRPV3 1350/4885
US-10226453-B2 3-(1H-indol-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A NR1H2 3567/4885NR1H3 3626/4885TRPV3 1253/4885
US-10604512-B2 3-(1H-indol-2-yl)-1H-indazoles and therapeutic uses thereof WNT1, WNT3, WNT3A NR1H2 2418/4885NR1H3 2403/4885TRPV3 414/4885
US-20180214428-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A NR1H2 3601/4885NR1H3 3662/4885TRPV3 1470/4885

“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.