SCHEMBL514597

SCHEMBL514597

CS(=O)(=O)Cc1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
TSHR P16473 4/20 0.48
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GFER P55789 1/20 0.48
GAA P10253 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
LMNA P02545 1/20 0.44
MPO P05164 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR6 P50406 1/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 6/20 0.44
CA12 O43570 4/20 0.44
CA14 Q9ULX7 2/20 0.44
CA7 P43166 3/20 0.42
CA5A P35218 3/20 0.42
CA4 P22748 2/20 0.42

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
SCHEMBL19941500 0.84 CA12 (0.55) RECQLTSHRTDP1ALDH1A1LOXL2
SCHEMBL19580461 0.83 PSIP1 (0.54) LOXL2CA1CA2CA9CA12
SCHEMBL1449580 0.82 TSHR (0.50) RECQLTSHRCYP3A4TDP1ALDH1A1
SCHEMBL3442462 0.81 GAA (0.48) RECQLTSHRCYP3A4TDP1ALDH1A1
SCHEMBL4503685 0.80 CA2 (0.52) ALDH1A1CA2KMT2ARCE1
SCHEMBL2984207 0.80 CA1 (0.62) RECQLTSHRCYP3A4TDP1ALDH1A1
SCHEMBL515055 0.80 KMT2A (0.50) RECQLCYP3A4TDP1ALDH1A1GAA
SCHEMBL12089981 0.79 IDO1 (0.45) ALDH1A1GAALMNAMAPT
SCHEMBL3950901 0.79 CA2 (0.63) TSHRTDP1CA1CA2CA9
SCHEMBL18517162 0.78 ALDH1A1 (0.40) TSHRTDP1ALDH1A1LMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025100889-A1 QUINAZOLINE DERIVATIVE, SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2025-05-15 WO disclosed
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
US-20230158039-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2023-05-25 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
EP-0382570-B1 Indole derivatives GLAXO GROUP LTD (GB) 1993-12-08 EP disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP disclosed
US-5001135-A Indole derivatives GLAXO GROUP LIMITED (GB) 1991-03-19 US disclosed
EP-0382570-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 1990-08-16 EP disclosed
US-4431585-A THIAZOLE AND THIOPHENE DYES; DIAZOTIZATION; COUPLING CASSELLA AKTIENGESELLSCHAFT (DE) 1984-02-14 US disclosed
US-4329283-A DISPERSE DYES BAYER AKTIENGESELLSCHAFT (DE) 1982-05-11 US disclosed
EP-0035671-A1 Water-insoluble azo dyestuffs, methods for their preparation and their use in dyeing and printing synthetic hydrophobic fibre materials CASSELLA Aktiengesellschaft (DE) 1981-09-16 EP disclosed
US-4247456-A Water-insoluble monoazo pyridone dye CASSELLA AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed
US-3957749-A WATER-INSOLUBLE MONOAZO PYRIDINE DYES CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (3 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 RECQL 2300/4885TSHR 562/4885CYP3A4 2794/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 RECQL 916/4885TSHR 3945/4885CYP3A4 2048/4885
US-20230158039-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 RECQL 162/4885TSHR 2219/4885CYP3A4 1915/4885

“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.