SCHEMBL2816614

SCHEMBL2816614

CC(C)(Cc1cnc(Cl)nc1NC1CCCCC1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.51
▸ AXL P30530 1/20 0.46
▸ MAPK8 P45983 3/20 0.39
▸ SYK P43405 4/20 0.38
▸ JAK2 O60674 3/20 0.38
▸ STAT6 P42226 1/20 0.37
▸ MAPK9 P45984 2/20 0.37
▸ ADORA3 P0DMS8 3/20 0.35
▸ ADORA2A P29274 3/20 0.35
▸ ADORA1 P30542 3/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ EGFR P00533 1/20 0.35

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
SCHEMBL28313535 0.81 KMT2A (0.62) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL22347977 0.78 KMT2A (0.47) KMT2AAXLSYKADORA3ADORA2A
SCHEMBL29390429 0.78 KMT2A (0.47) KMT2AAXLSYKADORA3ADORA2A
SCHEMBL22348506 0.78 KMT2A (0.55) KMT2AAXLSYKADORA3ADORA2A
SCHEMBL6424706 0.77 KMT2A (0.60) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL29526968 0.76 MAPK8 (0.61) KMT2AMAPK8SYKJAK2STAT6
SCHEMBL21593677 0.76 KMT2A (0.59) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL30496647 0.75 SYK (0.61) KMT2AMAPK8SYKJAK2STAT6
SCHEMBL26919488 0.75 SYK (0.61) KMT2AMAPK8SYKJAK2STAT6
SCHEMBL2816574 0.74 NFKB1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825128-B2 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER SCHERING PHARMA AG (DE) 2010-11-02 — — US disclosed
EP-1963282-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 — — EP disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 — — US disclosed
WO-2007071455-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 — — 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 (1 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-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR KMT2A 4091/4885AXL 326/4885MAPK8 3537/4885

“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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