SCHEMBL6201478

SCHEMBL6201478

COC(=O)C1CCCN(C(=O)c2ccnc(SC)n2)N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.32
CNR2 P34972 2/20 0.32
CCKBR P32239 1/20 0.32
PIK3CA P42336 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 2/20 0.30
GAA P10253 2/20 0.30
PBK Q96KB5 1/20 0.30
OPRM1 P35372 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL6201021 0.75 CNR2 (0.36) JAK2JAK3KMT2AALDH1A1CNR2
SCHEMBL6202278 0.71 KDM4E (0.36) JAK2CNR2LMNAKDM4E
SCHEMBL6202498 0.71 SCN9A (0.39) KMT2AALDH1A1CNR2MEN1LMNA
SCHEMBL1785258 0.68 L3MBTL1 (0.45) KMT2AALDH1A1MEN1LMNAGAA
SCHEMBL26209290 0.68 SMN1; SMN2 (0.36) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL1489345 0.65 KMT2A (0.46) KMT2AALDH1A1PIK3CAMEN1LMNA
SCHEMBL29835033 0.65 KMT2A (0.46) KMT2AALDH1A1PIK3CAMEN1LMNA
SCHEMBL29790283 0.65 EPHX2 (0.35) ALDH1A1GAASMN1; SMN2
SCHEMBL5750651 0.65 KMT2A (0.38) KMT2APIK3CAMEN1CCNT1CCNA2
SCHEMBL13202841 0.64 ALOX15 (0.42) KMT2AALDH1A1PIK3CAMEN1LMNA

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
EP-1427727-B1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2005-01-26 EP disclosed
US-6821971-B2 FOR PROPHYALXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE (IBS), SEPTIC SHOCK, CARDIOPULMONARY DYSFUNCTION, ACUTE RESPIRATORY DISEASE, CACHEXIA THE PROCTER & GAMBLE COMPANY 2004-11-23 US disclosed
EP-1427727-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-06-16 EP disclosed
US-20030105084-A1 Compound which inhibit the release of inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-06-05 US disclosed
WO-2003024970-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 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-20030105084-A1 Compound which inhibit the release of inflammatory cytokines IL1B, IL1A, TNF JAK2 190/4885JAK3 1987/4885KMT2A 3906/4885

“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.