SCHEMBL77982

SCHEMBL77982

O=C(CC(=O)C(F)(F)F)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.54
WNT3A P56704 3/20 0.54
PLOD2 O00469 3/20 0.53
PLOD3 O60568 2/20 0.53
PLOD1 Q02809 2/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
LMNA P02545 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TLR7 Q9NYK1 2/20 0.48
ALDH1A1 P00352 1/20 0.47
GRM4 Q14833 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 2/20 0.44

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
SCHEMBL31081298 1.00 CTNNB1 (0.54) CTNNB1WNT3APLOD2PLOD3PLOD1
SCHEMBL253276 0.83 CES2 (0.64) CTNNB1WNT3ACES2CES1LMNA
SCHEMBL29355245 0.83 CES2 (0.64) CTNNB1WNT3ACES2CES1LMNA
SCHEMBL18622350 0.83 ALDH1A1 (0.52) CTNNB1WNT3ACES2CES1LMNA
SCHEMBL33721999 0.80 CES2 (0.59) CTNNB1WNT3ACES2CES1LMNA
SCHEMBL2544523 0.80 CES2 (0.59) CTNNB1WNT3ACES2CES1LMNA
SCHEMBL9493294 0.78 LMNA (0.61) CTNNB1WNT3ACES2CES1LMNA
SCHEMBL18622294 0.78 PLOD2 (0.55) CTNNB1WNT3APLOD2PLOD3PLOD1
SCHEMBL16181683 0.77 PLOD2 (0.50) CTNNB1WNT3APLOD2PLOD3PLOD1
SCHEMBL1360847 0.77 ALDH1A1 (0.62) CTNNB1WNT3ACES2CES1LMNA

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
WO-2024215863-A2 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) PSY THERAPEUTICS, INC. (US) 2024-10-17 WO disclosed
US-9595683-B2 Organometallic compounds and organic light emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-14 US disclosed
US-9595683-B2 Organometallic compounds and organic light emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-14 US disclosed
US-8586201-B2 Light-emitting element and iridium complex CHIMEI INNOLUX CORPORATION (TW) 2013-11-19 US disclosed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed
EP-2346856-A1 2-[1H-BENZIMIDAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AND 2-[BENZOTHIAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AS KINASE INHIBITORS Telik, Inc. (US) 2011-07-27 EP disclosed
EP-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-20100141133-A1 LIGHT-EMITTING ELEMENT AND IRIDIUM COMPLEX CHI MEI OPTOELECTRONICS CORP. (TW) 2010-06-10 US disclosed
US-20100141133-A1 LIGHT-EMITTING ELEMENT AND IRIDIUM COMPLEX CHI MEI OPTOELECTRONICS CORP. (TW) 2010-06-10 US disclosed
US-20060228578-A1 Phosphorescent iridium complexes EASTMAN KODAK COMPANY 2006-10-12 US disclosed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 US disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 US disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
EP-1506196-A2 PYRAZOLOPYRIMIDINES Icagen, Inc. (US) 2005-02-16 EP disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 US disclosed
US-20030176450-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2003-09-18 US disclosed
WO-2003037900-A2 PYRAZOLOPYRIMIDINES ICAGEN, INC. (US) 2003-05-08 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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 CTNNB1 2105/4885WNT3A 1407/4885PLOD2 3754/4885
US-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CTNNB1 3894/4885WNT3A 4345/4885PLOD2 3738/4885
US-20030176450-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 CTNNB1 2105/4885WNT3A 1407/4885PLOD2 3754/4885
US-20100141133-A1 LIGHT-EMITTING ELEMENT AND IRIDIUM COMPLEX AP3D1, INF2, CRY1 CTNNB1 1304/4885WNT3A 3332/4885PLOD2 3115/4885

“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.