SCHEMBL16137703

SCHEMBL16137703

Cc1cccc(-n2nccc2-c2ccc3c(c2)CC(=O)N3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.53
▸ GRIA1 P42261 4/20 0.51
▸ CACNG8 Q8WXS5 2/20 0.51
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ NR3C2 P08235 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ NT5E P21589 3/20 0.46
▸ PGR P06401 3/20 0.45
▸ MAPT P10636 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 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
▸ AOC2 O75106 1/20 0.42
▸ BRD4 O60885 1/20 0.40

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
SCHEMBL17480247 0.87 PDE3B (0.51) GRIA1CACNG8PDE3BPDE3ANR3C2
SCHEMBL16047949 0.87 PDE3B (0.53) GRIA1CACNG8PDE3BPDE3ANR3C2
SCHEMBL16137708 0.87 NT5E (0.47) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL17480249 0.85 PGR (0.51) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL16137561 0.82 PDE3B (0.64) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL17480248 0.81 PDE3B (0.49) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL16137701 0.81 AHR (0.52) GRIA1CACNG8PDE3BPDE3ANR3C2
SCHEMBL16137693 0.81 AOC2 (0.53) GRIA1PDE3BPDE3ANR3C2CYP1A2
SCHEMBL16137692 0.80 GAA (0.49) GRIA1CACNG8PDE3BPDE3ANR3C2
SCHEMBL16090276 0.79 PGR (0.54) GRIA1CACNG8PDE3BPDE3ANR3C2

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 MAPK14 343/4885GRIA1 1763/4885CACNG8 3481/4885
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 MAPK14 303/4885GRIA1 2079/4885CACNG8 4432/4885

“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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