SCHEMBL538215

SCHEMBL538215

COC(CC=O)N(Cc1ccccc1)c1nc(SC)nc(Cl)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 11/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ TP53 P04637 2/20 0.34
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ MAPK1 P28482 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
SCHEMBL537779 0.74 PPARG (0.44) PPARGSMN1; SMN2TP53LMNAMAPT
SCHEMBL13131434 0.65 PPARG (0.43) PPARGSMN1; SMN2TP53MAPTRAB9A
SCHEMBL13168893 0.65 RAB9A (0.49) PPARGSMN1; SMN2TP53LMNAMAPT
SCHEMBL13145998 0.65 PPARG (0.45) PPARGSMN1; SMN2TP53LMNAMAPT
SCHEMBL282501 0.64 SMN1; SMN2 (0.47) PPARGSMN1; SMN2ALDH1A1L3MBTL1MAPK1
SCHEMBL537640 0.64 PPARG (0.42) PPARGSMN1; SMN2TP53LMNAMAPT
SCHEMBL14019131 0.62 PPARG (0.51) PPARGSMN1; SMN2LMNAMAPTRAB9A
SCHEMBL4980053 0.61 KMT2A (0.40) PPARGSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL900020 0.60 PPARG (0.42) PPARGSMN1; SMN2LMNAMAPTRAB9A
SCHEMBL11074988 0.60 TRPM8 (0.45) SMN1; SMN2TP53LMNAMAPTNPSR1

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
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 — — US disclosed
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 — — EP disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 — — WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 — — US 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 PPARG 206/4885SMN1; SMN2 2524/4885TP53 3/4885

“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.

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