SCHEMBL19744343

SCHEMBL19744343

CC(C)(C)OC(=O)NC(CC(=O)O)c1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 3/20 0.53
▸ CTSS P25774 4/20 0.48
▸ CTSK P43235 3/20 0.48
▸ ATM Q13315 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSA P10619 2/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ SYK P43405 1/20 0.41

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
SCHEMBL19744342 1.00 CYP26A1 (0.53) CYP26A1CTSSCTSKATMMEN1
SCHEMBL28293920 0.88 CTSS (0.45) CYP26A1CTSSCTSKATMMEN1
SCHEMBL27886474 0.88 CTSS (0.45) CYP26A1CTSSCTSKATMMEN1
SCHEMBL28265926 0.88 CTSS (0.45) CYP26A1CTSSCTSKATMMEN1
SCHEMBL24198500 0.86 CTSS (0.47) CTSSCTSKATMMEN1KMT2A
SCHEMBL31757758 0.85 CTSA (0.55) CTSA
SCHEMBL19744371 0.85 CTSA (0.55) CTSA
SCHEMBL31757886 0.85 CTSS (0.44) CTSSCTSKATMMEN1KMT2A
SCHEMBL19744367 0.85 CTSA (0.55) CTSA
SCHEMBL1157183 0.84 CTSA (0.50) CTSSCTSKCTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 — — US disclosed
US-20220235013-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 — — US disclosed
EP-3601267-A1 2-METHYL-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2020-02-05 — — EP disclosed
WO-2018172250-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-27 — — WO disclosed
WO-2017222083-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 — — 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 (2 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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 CYP26A1 954/4885CTSS 2267/4885CTSK 1706/4885
US-20220235013-A1 2-METHYL-QUINAZOLINES NRAS, KRAS, KSR2 CYP26A1 954/4885CTSS 2267/4885CTSK 1706/4885

“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.

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