Sugi Predict

Sugi Predict / Compounds / SCHEMBL995011

SCHEMBL995011

SCHEMBL995011

COC(=O)c1sccc1NC(N)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ HPGD P15428 4/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ MAPK10 P53779 4/20 0.62
▸ MAPT P10636 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ MAPK8 P45983 1/20 0.62
▸ MAPK9 P45984 1/20 0.62
▸ KDM4E B2RXH2 4/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ PKM P14618 1/20 0.60
▸ ATM Q13315 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ TSHR P16473 1/20 0.59

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
SCHEMBL1367369 0.84 NPC1 (0.71) NPC1L3MBTL1HPGDSMN1; SMN2MAPK10
SCHEMBL538048 0.82 NPC1 (0.63) NPC1L3MBTL1HPGDSMN1; SMN2MAPK10
SCHEMBL2593851 0.82 MAPK8 (0.64) NPC1L3MBTL1HPGDSMN1; SMN2MAPK10
SCHEMBL9396711 0.81 PKM (0.67) NPC1L3MBTL1HPGDSMN1; SMN2MAPT
SCHEMBL9070025 0.81 L3MBTL1 (1.00) L3MBTL1HPGDSMN1; SMN2MAPK10MAPT
SCHEMBL3247888 0.80 PTPN2 (0.68) NPC1L3MBTL1MAPK10LMNAKMT2A
SCHEMBL3579523 0.80 NPC1 (0.65) NPC1L3MBTL1HPGDSMN1; SMN2MAPK10
SCHEMBL15846889 0.80 NPC1 (0.65) NPC1L3MBTL1HPGDSMN1; SMN2MAPK10
SCHEMBL5294918 0.80 MAPK8 (0.68) NPC1L3MBTL1HPGDSMN1; SMN2MAPK10
SCHEMBL24131812 0.79 NPC1 (0.63) NPC1L3MBTL1HPGDSMN1; SMN2MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777136-B 1, 3-Disubstituted tetrahydropyrrole derivative and preparation method and application thereof 沈阳药科大学 2025-04-29 — — CN claimed
CN-117777136-A 1, 3-disubstituted tetrahydropyrrole derivative and preparation method and application thereof 沈阳药科大学 2024-03-29 — — CN claimed
CN-117777136-B 1, 3-Disubstituted tetrahydropyrrole derivative and preparation method and application thereof 沈阳药科大学 2025-04-29 — — CN disclosed
CN-117777136-A 1, 3-disubstituted tetrahydropyrrole derivative and preparation method and application thereof 沈阳药科大学 2024-03-29 — — CN disclosed
EP-2205610-B1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS HOFFMANN LA ROCHE (CH) 2013-11-20 — — EP disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 — — US disclosed
EP-2305671-A1 Thiophene and thiazole derivatives as CHK1 inhibitors AstraZeneca AB (SE) 2011-04-06 — — EP disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 — — US disclosed
EP-2205610-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 — — EP disclosed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 — — US disclosed
JP-2010065047-A RAF KINASE INHIBITOR BAYER CORP 2010-03-25 — — JP disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 — — EP disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 — — WO disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 — — US disclosed
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 — — EP disclosed
EP-1686999-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2006-08-09 — — EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 — — WO disclosed
WO-2005049033-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES ASTRAZENECA AB (SE) 2005-06-02 — — 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 NPC1 4756/4885L3MBTL1 3639/4885HPGD 3241/4885
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 NPC1 543/4885L3MBTL1 2105/4885HPGD 3165/4885
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS PIK3CA, PIK3CD, PIK3CB NPC1 4124/4885L3MBTL1 1444/4885HPGD 2750/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK NPC1 4829/4885L3MBTL1 3873/4885HPGD 2769/4885

“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.