SCHEMBL622982

SCHEMBL622982

CCOC(=O)c1sc(N2CCOCC2)c(C#N)c1Cc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PIK3CA P42336 3/20 0.40
BRAF P15056 1/20 0.40
HPGD P15428 5/20 0.40
MAPT P10636 2/20 0.40
DHODH Q02127 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.38
CSNK1D P48730 1/20 0.38
BRCA1 P38398 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL623941 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL10006318 0.87 PIK3CA (0.51) ALDH1A1KDM4EMEN1KMT2APIK3CA
SCHEMBL626937 0.87 BRAF (0.38) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL623933 0.86 PIK3CA (0.52) ALDH1A1KDM4EMEN1KMT2APIK3CA
SCHEMBL624258 0.84 PIK3CA (0.43) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL623050 0.82 PIK3CA (0.40) ALDH1A1KDM4EMEN1KMT2APIK3CA
SCHEMBL10288307 0.81 PIK3CA (0.47) ALDH1A1KDM4EKMT2APIK3CAMAPT
SCHEMBL10288158 0.81 PIK3CA (0.48) ALDH1A1KDM4EKMT2APIK3CAMAPT
SCHEMBL623940 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL11997707 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20120214794-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
WO-2012051410-A2 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 WO disclosed
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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 (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-20120172345-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 ALDH1A1 429/4885KDM4E 4086/4885MEN1 1909/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 ALDH1A1 429/4885KDM4E 4086/4885MEN1 1909/4885
US-20150148334-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR ALDH1A1 1446/4885KDM4E 3456/4885MEN1 1385/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 ALDH1A1 395/4885KDM4E 3971/4885MEN1 2290/4885
US-20120214794-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR ALDH1A1 1446/4885KDM4E 3456/4885MEN1 1385/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 ALDH1A1 395/4885KDM4E 3971/4885MEN1 2290/4885

“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.