SCHEMBL622871

SCHEMBL622871

CCOC(=O)c1ccc(-c2ccncc2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 11/20 0.63
DBF4 Q9UBU7 11/20 0.63
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
MAPK14 Q16539 1/20 0.53
ERN1 O75460 2/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CASP1 P29466 1/20 0.46
HSD17B1 P14061 1/20 0.45

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
SCHEMBL19892393 0.85 CDC7 (0.53) CDC7DBF4HDAC3HDAC4HDAC1
SCHEMBL12470090 0.84 ALDH1A1 (0.57) CDC7DBF4HDAC3HDAC4HDAC1
SCHEMBL12582258 0.84 ERN1 (0.54) CDC7DBF4HDAC3HDAC4HDAC1
SCHEMBL23091208 0.84 CYP2A6 (0.65) CDC7DBF4HDAC3HDAC4HDAC1
SCHEMBL1784438 0.83 ERN1 (0.56) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL18832290 0.83 PRF1 (0.54) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL5238765 0.83 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC6HDAC7
SCHEMBL1144728 0.82 IKBKB (0.58) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL2715947 0.82 KDM4E (0.59) HDAC3HDAC4HDAC1HDAC6MAPK14
SCHEMBL2028546 0.82 MAPT (0.62) HDAC3HDAC4HDAC1HDAC6ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752615-B2 Spirocyclic containing compounds and pharmaceutical uses thereof GB005, INC. (US) 2020-08-25 US disclosed
US-20190263790-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF GB005, INC. 2019-08-29 US disclosed
WO-2018032104-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF PHARMASCIENCE INC. (CA) 2018-02-22 WO 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-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-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 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-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
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US disclosed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 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 (7 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 CDC7 1674/4885DBF4 3645/4885HDAC3 95/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 CDC7 1674/4885DBF4 3645/4885HDAC3 95/4885
US-10752615-B2 Spirocyclic containing compounds and pharmaceutical uses thereof TEC, ITK, TXK CDC7 527/4885DBF4 4367/4885HDAC3 1064/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 CDC7 3871/4885DBF4 3232/4885HDAC3 144/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 CDC7 1923/4885DBF4 3318/4885HDAC3 113/4885
US-20190263790-A1 SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF TEC, ITK, TXK CDC7 527/4885DBF4 4367/4885HDAC3 1064/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 CDC7 1923/4885DBF4 3318/4885HDAC3 113/4885

“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.