SCHEMBL5830705

SCHEMBL5830705

CCOC(=O)c1[nH]c(C=O)c2c1CCCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 2/20 0.57
BRD4 O60885 1/20 0.52
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
IGF1R P08069 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 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
SCHEMBL22548401 0.81 BRD4 (0.66) ALDH1A1KMT2APOLBBRD4CYP1A2
SCHEMBL9880190 0.78 BRD4 (0.55) ALDH1A1KMT2APOLBBRD4CYP1A2
SCHEMBL19318731 0.78 BRD4 (0.55) ALDH1A1KMT2APOLBBRD4CYP1A2
SCHEMBL22548162 0.78 BRD4 (0.70) ALDH1A1KMT2ABRD4CYP1A2CYP2C9
SCHEMBL16090254 0.77 BRD4 (0.54) ALDH1A1KMT2APOLBBRD4CYP1A2
SCHEMBL27942077 0.76 ALDH1A1 (0.76) ALDH1A1KMT2APOLBCYP1A2CYP2C9
SCHEMBL4471381 0.75 HCAR2 (0.34) ALDH1A1KMT2APOLBTSHR
SCHEMBL19318759 0.75 BRD4 (0.58) ALDH1A1KMT2APOLBBRD4CYP1A2
SCHEMBL4193955 0.73 ALDH1A1 (0.62) ALDH1A1KMT2APOLBCYP1A2CYP2C9
SCHEMBL5621143 0.73 ALDH1A1 (1.00) ALDH1A1KMT2APOLBCYP1A2CYP2C9

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 11 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-9187454-B2 Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof BOSTON BIOMEDICAL, INC. (US) 2015-11-17 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
US-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF BOSTON BIOMEDICAL, INC. 2014-09-18 US disclosed
US-7053086-B2 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. (US) 2006-05-30 US disclosed
US-20040097497-A1 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. 2004-05-20 US disclosed
US-6635640-B2 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. 2003-10-21 US disclosed
EP-1296975-A1 4-HETEROARYL-3-HETEROARYLIDENYL-2-INDOLINONES AND THEIR USE AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2003-04-02 EP disclosed
US-20020187978-A1 4-Heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. 2002-12-12 US disclosed
WO-2002002551-A1 4-HETEROARYL-3-HETEROARYLIDENYL-2-INDOLINONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2002-01-10 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-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF MAP3K1, MAP3K6, MAP3K9 ALDH1A1 2130/4885KMT2A 1021/4885POLB 1741/4885
US-20020187978-A1 4-Heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors CDK2, CDK20, CDK3 ALDH1A1 3855/4885KMT2A 846/4885POLB 1839/4885
US-20040097497-A1 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors CDK2, CDK20, CDK3 ALDH1A1 3855/4885KMT2A 846/4885POLB 1839/4885
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 ALDH1A1 880/4885KMT2A 715/4885POLB 2207/4885
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 ALDH1A1 623/4885KMT2A 486/4885POLB 2683/4885

“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.