SCHEMBL7055583

SCHEMBL7055583

CCCCCSc1ncncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
HASPIN Q8TF76 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGES O14684 2/20 0.38

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
SCHEMBL5586189 0.98 SMN1; SMN2 (0.46) PAK1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3691473 0.98 SMN1; SMN2 (0.46) PAK1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11821001 0.98 SMN1; SMN2 (0.46) PAK1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL10897324 0.94 USP2 (0.46) PAK1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL10897831 0.85 HPGD (0.39) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL284354 0.82 GAA (0.53) PAK1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7049219 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL11334284 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL726341 0.75
SCHEMBL26449578 0.75 KDM4E (0.57) SMN1; SMN2ALDH1A1LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818648-B2 PSYCHOLOGICAL DISORDERS; ANXIOLYTIC AGENTS; ANTIDEPRESSANTS; EATING DISORDERS; ALCOHOLISM; DRUG ABUSE; ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-11-16 US disclosed
US-20030191125-A1 Aryloxy- and arylthiosubstituted pyrimidines and triazines and derivatives thereof BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-09 US disclosed
US-6602825-B1 Cyclization of an isocyanate with a thiourea and carbonic acid BASF AKTIENGESELLSCHAFT (DE) 2003-08-05 US disclosed
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof DUPONT PHARMACEUTICALS COMPANY 2002-04-04 US disclosed
US-6326368-B1 PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-12-04 US disclosed
EP-1157012-A1 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-28 EP disclosed
WO-2000050409-A1 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-08-31 WO disclosed
EP-0920318-A4 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARM CO (US) 2000-03-15 EP disclosed
EP-0920318-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-06-09 EP disclosed
WO-1997035580-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 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 (2 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-20030191125-A1 Aryloxy- and arylthiosubstituted pyrimidines and triazines and derivatives thereof PARL, HTR5A, PSEN2 PAK1 2552/4885SMN1; SMN2 3243/4885ALDH1A1 2751/4885
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof PARL, HTR5A, PSEN2 PAK1 2511/4885SMN1; SMN2 3224/4885ALDH1A1 2714/4885

“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.