Sugi Predict

Sugi Predict / Compounds / SCHEMBL1816062

SCHEMBL1816062

SCHEMBL1816062

O=C(O)c1ccn(-c2ccncc2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NAPRT Q6XQN6 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ ELOVL1 Q9BW60 2/20 0.41
▸ MAPT P10636 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MTOR P42345 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ CACNA2D1 P54289 1/20 0.35

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
SCHEMBL27768527 0.87 ELOVL1 (0.39) CYP2C9HSD17B10L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1063920 0.85 CYP2C9 (0.61) CYP2C9HSD17B10L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL14247709 0.84 SCN9A (0.42) CYP2C9HSD17B10L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL31031032 0.81 KMT2A (0.45) CYP2C9ALDH1A1KDM4EHPGDKMT2A
SCHEMBL12571550 0.81 HCAR2 (0.43) CYP2C9HSD17B10L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL14150735 0.80 KMT2A (0.64) CYP2C9L3MBTL1KDM4EKMT2AMAPT
SCHEMBL15754423 0.80 RPA1 (0.50) CYP2C9L3MBTL1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2360605 0.80 UBE2N (0.48) CYP2C9ALDH1A1KMT2AMAPT
SCHEMBL1819859 0.80 HCAR2 (0.44) CYP2C9HSD17B10L3MBTL1ALDH1A1KDM4E
SCHEMBL26970951 0.80 GAA (0.49) HSD17B10L3MBTL1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 — — EP disclosed
EP-3885340-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2021-09-29 — — EP disclosed
US-11046713-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2021-06-29 — — US disclosed
EP-3369732-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2021-05-26 — — EP disclosed
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2020-09-24 — — US disclosed
US-10711013-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2020-07-14 — — US disclosed
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2019-04-04 — — US disclosed
US-10118933-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2018-11-06 — — US disclosed
EP-3369732-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2018-09-05 — — EP disclosed
EP-3056485-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2018-05-09 — — EP disclosed
WO-2011051540-A9 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-06-21 — — WO disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
WO-2011051540-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2011-05-05 — — WO disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
CN-1050382-A Pyrazole derivatives and preparation method thereof and medicinal compositions FUJISAWA PHARMACEUTICAL CO (JP) 1991-04-03 — — CN 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 (8 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-10118933-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG CYP2C9 545/4885HSD17B10 202/4885L3MBTL1 4871/4885
US-10711013-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG CYP2C9 545/4885HSD17B10 202/4885L3MBTL1 4871/4885
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG CYP2C9 545/4885HSD17B10 202/4885L3MBTL1 4871/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 CYP2C9 915/4885HSD17B10 1370/4885L3MBTL1 2079/4885
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG CYP2C9 545/4885HSD17B10 202/4885L3MBTL1 4871/4885
US-11046713-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG CYP2C9 545/4885HSD17B10 202/4885L3MBTL1 4871/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT CYP2C9 608/4885HSD17B10 548/4885L3MBTL1 3423/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 CYP2C9 707/4885HSD17B10 871/4885L3MBTL1 2963/4885

“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.