SCHEMBL3259241

SCHEMBL3259241

CCCCCc1[nH]nc(O)c1CCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.40
HCAR3 P49019 2/20 0.40
CYP19A1 P11511 1/20 0.38
TYMP P19971 3/20 0.36
ALDH1A1 P00352 3/20 0.35
ATM Q13315 1/20 0.35
CYP3A4 P08684 2/20 0.34
PTGS2 P35354 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HSD17B10 Q99714 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
SHBG P04278 1/20 0.33

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
SCHEMBL5363198 0.78 HCAR2 (0.38) HCAR2HCAR3TYMPALDH1A1LMNA
SCHEMBL20339904 0.74 HCAR2 (0.43) HCAR2HCAR3TYMPALDH1A1KDM4E
SCHEMBL24157727 0.71 HCAR2 (0.41) HCAR2HCAR3TYMPALDH1A1KDM4E
SCHEMBL28137757 0.71 DYRK1A (0.38) HCAR2HCAR3TYMPALDH1A1HPGD
SCHEMBL8655899 0.71 HCAR2 (0.38) HCAR2HCAR3TYMPALDH1A1LMNA
SCHEMBL11365654 0.69 HCAR2 (0.59) HCAR2HCAR3
SCHEMBL11223769 0.69 HCAR2 (0.51) HCAR2HCAR3
SCHEMBL9808416 0.68 HCAR2 (0.43) HCAR2HCAR3ALDH1A1ATMKDM4E
SCHEMBL11411101 0.67 HCAR2 (0.65) HCAR2HCAR3
SCHEMBL27141935 0.67 HCAR2 (0.45) HCAR2HCAR3ALDH1A1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416123-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2016-08-16 US disclosed
US-20140336225-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2014-11-13 US disclosed
EP-2125683-B1 3-BENZOFURANYL-4-INDOLYL-MALEIMIDES AS POTENT GSK-3 INHIBITORS FOR NEURODEGENERATIVE DISORDERS UNIV ILLINOIS (US) 2013-10-23 EP disclosed
US-8207216-B2 Benzofuran-3-yl(indol-3-yl) maleimides as potent GSK3 inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-06-26 US disclosed
US-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS 2010-01-07 US 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-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors GSK3B, GSK3A, GSKIP HCAR2 2295/4885HCAR3 1587/4885CYP19A1 2699/4885
US-20140336225-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER DCK, MAP3K2, MAP3K19 HCAR2 2086/4885HCAR3 1972/4885CYP19A1 3344/4885

“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.