Sugi Predict

Sugi Predict / Compounds / SCHEMBL4094970

SCHEMBL4094970

SCHEMBL4094970

c1ccc(-c2nnc(-c3ccccc3)c3c2CCCCCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.51
▸ PTGS1 P23219 3/20 0.51
▸ LMNA P02545 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40

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
SCHEMBL18137230 1.00 PTGS2 (0.51) PTGS2PTGS1LMNAMAPK10MEN1
SCHEMBL17694188 0.89 HSD17B10 (0.48) PTGS2PTGS1LMNAMAPK10MEN1
SCHEMBL21553936 0.89 PTGS2 (0.44) PTGS2PTGS1LMNAMAPK10MEN1
SCHEMBL580172 0.86 MEN1 (0.44) PTGS2PTGS1LMNAMAPK10MEN1
SCHEMBL17694190 0.84 MAOA (0.48) PTGS2PTGS1LMNAMAPK10MEN1
SCHEMBL580365 0.82 LMNA (0.46) PTGS2PTGS1LMNAMAPK10MEN1
SCHEMBL18874529 0.79 PTGS2 (0.43) PTGS2PTGS1LMNAMAPK10MEN1
SCHEMBL21125306 0.79 PTGS2 (0.43) PTGS2PTGS1LMNAMAPK10MEN1
SCHEMBL17694198 0.78 MAPT (0.43) PTGS2PTGS1LMNAMEN1KMT2A
SCHEMBL15748622 0.78 CYP3A4 (0.40) PTGS2PTGS1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857636-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2024-01-02 — — US disclosed
US-11857636-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2024-01-02 — — US disclosed
EP-4245744-A2 CHEMICALLY CLEAVABLE GROUP Tagworks Pharmaceuticals B.V. (NL) 2023-09-20 — — EP disclosed
EP-2922574-B1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B V (NL) 2023-05-17 — — EP disclosed
EP-2709667-B1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B V (NL) 2022-04-13 — — EP disclosed
EP-3973993-A1 BIO-ORTHOGONAL DRUG ACTIVATION Tagworks Pharmaceuticals B.V. (NL) 2022-03-30 — — EP disclosed
EP-2709666-B1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS NV (NL) 2021-07-14 — — EP disclosed
US-20210162060-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-06-03 — — US disclosed
US-10967069-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-04-06 — — US disclosed
US-10927139-B2 Chemically cleavable group TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-02-23 — — US disclosed
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-10-22 — — US disclosed
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-10-22 — — US disclosed
WO-2014081303-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 — — WO disclosed
WO-2014081301-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 — — WO disclosed
US-8236949-B2 Tetrazine-based bio-orthogonal coupling reagents and methods UNIVERSITY OF DELAWARE (US) 2012-08-07 — — US disclosed
US-8236949-B2 Tetrazine-based bio-orthogonal coupling reagents and methods UNIVERSITY OF DELAWARE (US) 2012-08-07 — — US disclosed
US-8236949-B2 Tetrazine-based bio-orthogonal coupling reagents and methods UNIVERSITY OF DELAWARE (US) 2012-08-07 — — US disclosed
US-20090023916-A1 TETRAZINE-BASED BIO-ORTHOGONAL COUPLING REAGENTS AND METHODS UNIVERSITY OF DELAWARE (US) 2009-01-22 — — US disclosed
US-20090023916-A1 TETRAZINE-BASED BIO-ORTHOGONAL COUPLING REAGENTS AND METHODS UNIVERSITY OF DELAWARE (US) 2009-01-22 — — US disclosed
US-20090023916-A1 TETRAZINE-BASED BIO-ORTHOGONAL COUPLING REAGENTS AND METHODS UNIVERSITY OF DELAWARE (US) 2009-01-22 — — 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 (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-10967069-B2 Bio-orthogonal drug activation JMJD7, KIT, PAICS PTGS2 1983/4885PTGS1 3477/4885LMNA 4539/4885
US-20210162060-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS PTGS2 1983/4885PTGS1 3477/4885LMNA 4539/4885
US-10927139-B2 Chemically cleavable group SQLE, CTRL, ENO1 PTGS2 579/4885PTGS1 1195/4885LMNA 1188/4885
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION KIT, JMJD7, TPSB2 PTGS2 1071/4885PTGS1 2250/4885LMNA 3011/4885
US-11857636-B2 Bio-orthogonal drug activation JMJD7, KIT, PAICS PTGS2 1983/4885PTGS1 3477/4885LMNA 4539/4885
US-20090023916-A1 TETRAZINE-BASED BIO-ORTHOGONAL COUPLING REAGENTS AND METHODS SKIC8, TCOF1, TTI2 PTGS2 593/4885PTGS1 884/4885LMNA 4561/4885

“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.