SCHEMBL623479

SCHEMBL623479

CCOC(=O)c1sc(N)c(C#N)c1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.70
ADORA2A P29274 1/20 0.58
MAPT P10636 5/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 10/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HSD17B10 Q99714 4/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 4/20 0.50
BRCA1 P38398 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HPGD P15428 4/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RECQL P46063 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL3135234 0.88 L3MBTL1 (0.58) L3MBTL1ADORA2AMAPTNPC1RAB9A
SCHEMBL626630 0.88 ADORA2A (0.74) L3MBTL1ADORA2AMAPTNPC1RAB9A
SCHEMBL9630241 0.86 L3MBTL1 (0.68) L3MBTL1ADORA2AMAPTNPC1RAB9A
SCHEMBL622624 0.86 L3MBTL1 (0.68) L3MBTL1ADORA2AMAPTNPC1RAB9A
SCHEMBL3128683 0.85 L3MBTL1 (0.56) L3MBTL1ADORA2AMAPTNPC1RAB9A
SCHEMBL623739 0.82 L3MBTL1 (0.53) L3MBTL1ADORA2AALDH1A1MEN1KMT2A
SCHEMBL3139470 0.82 L3MBTL1 (0.53) L3MBTL1ADORA2AMAPTNPC1RAB9A
SCHEMBL3133076 0.81 L3MBTL1 (0.55) L3MBTL1ADORA2AMAPTNPC1RAB9A
SCHEMBL9865456 0.81 L3MBTL1 (0.55) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2554376 0.81 L3MBTL1 (0.74) L3MBTL1ADORA2AMAPTNPC1RAB9A

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-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-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
EP-2603214-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP 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
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 (4 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 L3MBTL1 466/4885ADORA2A 222/4885MAPT 4837/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 L3MBTL1 466/4885ADORA2A 222/4885MAPT 4837/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 L3MBTL1 651/4885ADORA2A 105/4885MAPT 4833/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 L3MBTL1 651/4885ADORA2A 105/4885MAPT 4833/4885

“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.