SCHEMBL3321182

SCHEMBL3321182

CSc1nc(SC)n2cc(NC(=O)O)nc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 3/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADORA3 P0DMS8 5/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 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
SCHEMBL3314527 0.78 KDM4E (0.37) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL20379004 0.75 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1ADORA3ADORA2A
SCHEMBL3314421 0.74 MEN1 (0.34) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3316431 0.70 SMN1; SMN2 (0.32) SMN1; SMN2KDM4E
SCHEMBL11474873 0.61 CCNB2 (0.50)
SCHEMBL14912611 0.61 NLRP3 (0.35) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL20153234 0.59 KMT2A (0.58) MEN1KMT2ASMN1; SMN2KDM4ETP53
SCHEMBL25311385 0.57 JAK1 (0.40) SMN1; SMN2KDM4ETP53ALDH1A1NPC1
SCHEMBL6901290 0.56 BRD4 (0.33) LMNAALDH1A1
SCHEMBL31725239 0.55 RAB9A (0.78) MEN1KMT2ASMN1; SMN2TP53NPC1

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-2125819-B1 Fused heterocyclic compounds useful for the treatment of proliferative, allergic, autoimmune or inflammatory diseases BRISTOL MYERS SQUIBB CO (US) 2014-10-22 EP disclosed
US-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 US disclosed
EP-2125819-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE, ALLERGIC, AUTOIMMUNE OR INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2009-12-02 EP disclosed
WO-2008116064-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE, ALLERGIC, AUTOIMMUNE OR INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-25 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-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 MEN1 2199/4885KMT2A 736/4885SMN1; SMN2 4568/4885

“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.