SCHEMBL16137692

SCHEMBL16137692

COc1ccc(-n2nccc2-c2ccc3c(c2)CC(=O)N3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ CRBN Q96SW2 1/20 0.48
▸ PDE3B Q13370 2/20 0.48
▸ PDE3A Q14432 2/20 0.48
▸ NR3C2 P08235 1/20 0.47
▸ GRIA1 P42261 4/20 0.46
▸ PGR P06401 1/20 0.45
▸ CACNG8 Q8WXS5 2/20 0.44
▸ KDR P35968 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ SRC P12931 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MET P08581 1/20 0.42

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
SCHEMBL16137708 0.89 NT5E (0.47) CRBNPDE3BPDE3AGRIA1PGR
SCHEMBL17480247 0.87 PDE3B (0.51) GAACRBNPDE3BPDE3ANR3C2
SCHEMBL16137693 0.85 AOC2 (0.53) GAAPDE3BPDE3ANR3C2GRIA1
SCHEMBL16137701 0.85 AHR (0.52) GAAPDE3BPDE3ANR3C2GRIA1
SCHEMBL16047949 0.85 PDE3B (0.53) GAAPDE3BPDE3ANR3C2GRIA1
SCHEMBL16137561 0.85 PDE3B (0.64) PDE3BPDE3AGRIA1PGRCACNG8
SCHEMBL16090276 0.83 PGR (0.54) GAAPDE3BPDE3ANR3C2GRIA1
SCHEMBL16137702 0.82 KIF11 (0.54) GAAPDE3BPDE3AGRIA1PGR
SCHEMBL17480248 0.81 PDE3B (0.49) GAAPDE3BPDE3AGRIA1PGR
SCHEMBL155069 0.80 PDE3B (0.62) GAAPDE3BPDE3AGRIA1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241569-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL INC (US) 2019-08-08 — — US disclosed
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2016-02-04 — — US disclosed
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2016-02-04 — — US disclosed
WO-2014160401-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2014-10-02 — — 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 (2 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-20190241569-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER MAP3K2, MAP3K1, MAP3K3 GAA 1787/4885CRBN 707/4885PDE3B 3911/4885
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER MAP3K19, MAP3K2, MAP3K3 GAA 2785/4885CRBN 655/4885PDE3B 2794/4885

“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.

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