SCHEMBL1915529

SCHEMBL1915529

CCc1ccc(-c2cs[c]n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
RAB9A P51151 10/20 0.43
NPC1 O15118 9/20 0.43
MAPT P10636 7/20 0.43
LMNA P02545 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 6/20 0.41
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 3/20 0.40
CA12 O43570 1/20 0.38
ALPL P05186 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 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
SCHEMBL1916734 0.85 NISCH (0.39) RAB9ANPC1MAPTLMNANFKB1
SCHEMBL1916781 0.82 XDH (0.41) MAPTLMNANFKB1POLBMEN1
SCHEMBL1914807 0.82 RAB9A (0.45) RAB9ANPC1MAPTNFKB1NFKB2
SCHEMBL1916309 0.80 KMT2A (0.47) METAP2RAB9ANPC1MAPTLMNA
SCHEMBL11468239 0.80 MAPT (0.48) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL17626012 0.80 ACACB (0.33) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL3952689 0.79 TNF (0.36) RAB9ANPC1MAPTLMNANFKB1
SCHEMBL17626241 0.77 NQO1 (0.48) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL467871 0.77 ALDH1A1 (0.41) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL10515566 0.76 LTA4H (0.46) RAB9ANPC1MAPTLMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637658-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF Duke University (US) 2013-09-18 EP claimed
WO-2012064715-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2012-05-18 WO claimed
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN claimed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US claimed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 US disclosed
CN-109776537-B Purine diones as WNT pathway modulators 新加坡科技研究局 2021-12-14 CN disclosed
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 US disclosed
US-10844063-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-11-24 US disclosed
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-18 US disclosed
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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 (6 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-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 METAP2 3961/4885RAB9A 3313/4885NPC1 2768/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 METAP2 3865/4885RAB9A 3162/4885NPC1 2489/4885
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC METAP2 1280/4885RAB9A 1681/4885NPC1 28/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 METAP2 3961/4885RAB9A 3313/4885NPC1 2768/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 METAP2 3865/4885RAB9A 3162/4885NPC1 2489/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 METAP2 3961/4885RAB9A 3313/4885NPC1 2768/4885

“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.