SCHEMBL4674162

SCHEMBL4674162

Cc1nn(-c2ccccc2)cc1-c1ccnc(S(C)(=O)=O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.50
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.36
CYP3A4 P08684 1/20 0.36
BRAF P15056 1/20 0.36
JAK3 P52333 1/20 0.36
MAPK10 P53779 1/20 0.36
KCNH2 Q12809 1/20 0.36
ERBB4 Q15303 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CCNE1 P24864 1/20 0.34

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
SCHEMBL7249032 0.81 GRM4 (0.57) GRM4HPGDALDH1A1MAPTADORA3
SCHEMBL14947687 0.80 CCNE1 (0.47) HPGDEGFRALDH1A1CCNE1CDK2
SCHEMBL4677393 0.77 GRM4 (0.52) GRM4HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL18626100 0.77 BRAF (0.41) BRAFDYRK1ADYRK2DYRK1B
SCHEMBL4671104 0.75 CDK2 (0.52) GRM4HPGDEGFRJAK3MAPK10
SCHEMBL3575717 0.74 BPTF (0.43) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL4447801 0.72 BPTF (0.54) HPGDSMN1; SMN2EGFRCYP3A4BRAF
SCHEMBL8242894 0.71 DYRK1B (0.36) EGFRCYP3A4BRAFJAK3MAPK10
SCHEMBL6070872 0.70 MDM2 (0.40) HPGDEGFRCYP3A4BRAFJAK3
SCHEMBL29126610 0.69 KDM4C (0.45) HPGDSMN1; SMN2ALDH1A1NPC1LMNA

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
EP-1343781-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-09-03 EP disclosed
EP-1343781-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2003-09-17 EP disclosed
US-20020111353-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2002-08-15 US disclosed
WO-2002046184-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-06-13 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-20020111353-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases MAPK1, MAPK3, MAPKAPK3 GRM4 2990/4885HPGD 1865/4885SMN1; SMN2 1206/4885

“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.