SCHEMBL6842142

SCHEMBL6842142

CC(C)c1cnc2sccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.49
LIMK1 P53667 1/20 0.49
DYRK1A Q13627 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
KDM4E B2RXH2 7/20 0.47
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 7/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL14617655 0.77 KDM4E (0.59) CHEK1LIMK1DYRK1ACLK4KDM4E
SCHEMBL15401844 0.69
SCHEMBL2628994 0.69
SCHEMBL5045177 0.69
SCHEMBL10235030 0.69 KDM4E (0.48) CHEK1LIMK1DYRK1ACLK4KDM4E
SCHEMBL9609565 0.69 KDM4E (0.47) CHEK1LIMK1DYRK1ACLK4KDM4E
SCHEMBL17248112 0.69 IDO1 (0.44) SMN1; SMN2
SCHEMBL269609 0.69 CHEK1 (0.62) CHEK1LIMK1DYRK1ACLK4KDM4E
SCHEMBL12566065 0.68 CCNE1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL12970016 0.68 DHODH (0.38) KDM4EMAPTALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 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 (6 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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 CHEK1 1389/4885LIMK1 4708/4885DYRK1A 831/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 CHEK1 1954/4885LIMK1 3889/4885DYRK1A 1086/4885
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CHEK1 952/4885LIMK1 1368/4885DYRK1A 2391/4885
US-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 CHEK1 812/4885LIMK1 1911/4885DYRK1A 2864/4885
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 CHEK1 371/4885LIMK1 2047/4885DYRK1A 138/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CHEK1 913/4885LIMK1 1698/4885DYRK1A 3119/4885

“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.