SCHEMBL3314527

SCHEMBL3314527

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL3314421 0.86 MEN1 (0.34) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3321182 0.78 MEN1 (0.38) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL20379004 0.75 SMN1; SMN2 (0.36) KDM4ESMN1; SMN2
SCHEMBL3316431 0.73 SMN1; SMN2 (0.32) KDM4ESMN1; SMN2
SCHEMBL3313961 0.70 KDM4E (0.40) KDM4EMEN1KMT2ARXFP1
SCHEMBL18757847 0.69 PTGS1 (0.36) KDM4EMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL27242010 0.66 KDM4E (0.55) KDM4ESMN1; SMN2RXFP1
SCHEMBL3315849 0.65 KDM4E (0.38) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5848301 0.65 KMT2A (0.49) MEN1KMT2APPARGSMN1; SMN2
Hydrochloric Acid SCHEMBL5850055 0.64 KMT2A (0.47) MEN1KMT2APPARGSMN1; SMN2

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 KDM4E 774/4885MEN1 2199/4885KMT2A 736/4885

“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.