SCHEMBL4857693

SCHEMBL4857693

CCOc1ccc2nc(NCCS(C)(=O)=O)ncc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ ALDH1A1 P00352 9/20 0.44
▸ HPGD P15428 7/20 0.44
▸ HSD17B10 Q99714 6/20 0.44
▸ MAPT P10636 5/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPK14 Q16539 1/20 0.42
▸ KDM4E B2RXH2 7/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ LMNA P02545 4/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ TSHR P16473 3/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL4851388 0.78 PDE3B (0.40) PDE3BPDE3AALDH1A1HPGDHSD17B10
SCHEMBL14003203 0.77 PDE3B (0.48) PDE3BPDE3AALDH1A1HPGDHSD17B10
SCHEMBL4266791 0.74 SMN1; SMN2 (0.45) ALDH1A1HSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL27873830 0.73 EGFR (0.47) —
SCHEMBL31391456 0.70 PDE3B (0.48) PDE3BPDE3AALDH1A1HPGDHSD17B10
SCHEMBL4861518 0.69 POLB (0.42) PDE3BPDE3AALDH1A1HPGDHSD17B10
SCHEMBL4857055 0.68 KMT2A (0.53) PDE3BPDE3AALDH1A1HPGDHSD17B10
SCHEMBL4855986 0.67 NOS2 (0.61) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL4274502 0.65 LMNA (0.41) HSD17B10MAPTSMN1; SMN2L3MBTL1KMT2A
SCHEMBL4259572 0.65 HRH4 (0.42) SMN1; SMN2KDM4EKMT2AMEN1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456185-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2008-11-25 — — US disclosed
US-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors DUNN JAMES P 2007-07-19 — — US disclosed
US-7238698-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-07-03 — — 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 (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-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors MAPK1, MAPK7, MAPK3 PDE3B 997/4885PDE3A 1076/4885ALDH1A1 3593/4885

“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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