SCHEMBL6856723

SCHEMBL6856723

CC(C)(C)c1cc2c(s1)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.44
HPGD P15428 5/20 0.43
ALDH1A1 P00352 10/20 0.42
POLB P06746 3/20 0.42
PKM P14618 1/20 0.42
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
TP53 P04637 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 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
SCHEMBL11977467 0.96 HPGD (0.46) DAOHPGDALDH1A1POLBPKM
SCHEMBL11987742 0.94 ALDH1A1 (0.49) DAOHPGDALDH1A1POLBPKM
SCHEMBL11987732 0.94 ALDH1A1 (0.49) DAOHPGDALDH1A1POLBPKM
SCHEMBL2994813 0.78 PNMT (0.38) HPGDALDH1A1POLBPKM
SCHEMBL21234759 0.76 ALDH1A1 (0.39) HPGDALDH1A1TP53MEN1KMT2A
SCHEMBL25470414 0.75 ALDH1A1 (0.44) DAOHPGDALDH1A1POLBPKM
SCHEMBL13424012 0.75 HDAC6 (0.30)
SCHEMBL18506961 0.74 HPGD (0.33) HPGDALDH1A1POLBPKMTP53
SCHEMBL11987737 0.73 PRKDC (0.33) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL22817550 0.73 PRKDC (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154519-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 US disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 US disclosed
US-8389560-B2 HCV protease inhibitors TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-03-05 US disclosed
US-8247550-B2 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. (US) 2012-08-21 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110065737-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-03-17 US disclosed
US-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2011-03-10 US disclosed
US-7884108-B2 tyrosine kinase inhibitors such as N-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenyl amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-fluorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide for treating bone disorders, allergic disorders, autoimmune diseases, inflammatory diseases CGI PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK DAO 2972/4885HPGD 858/4885ALDH1A1 3488/4885
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN DAO 2024/4885HPGD 4462/4885ALDH1A1 4265/4885
US-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 DAO 1474/4885HPGD 1470/4885ALDH1A1 3393/4885
US-20110065737-A1 HCV PROTEASE INHIBITORS RNASE1, HAVCR2, CTRL DAO 1049/4885HPGD 3299/4885ALDH1A1 814/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN DAO 2024/4885HPGD 4462/4885ALDH1A1 4265/4885
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 DAO 1474/4885HPGD 1470/4885ALDH1A1 3393/4885
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof UTS2R, GHSR, GRPR DAO 2756/4885HPGD 2290/4885ALDH1A1 3527/4885

“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.