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SCHEMBL537810

SCHEMBL537810

CCOC(=O)C1CN(c2ccccc2)c2nc(SC)nc(NN)c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33

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
SCHEMBL537545 0.86 MAPT (0.38) ALDH1A1LMNARECQLHPGDKDM4E
SCHEMBL537471 0.86 MEN1 (0.36) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL3291782 0.79 ALDH1A1 (0.44) ALDH1A1LMNARECQLHPGDKDM4E
SCHEMBL537550 0.72 MEN1 (0.38) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL3528616 0.67 SLC6A2 (0.41) ALDH1A1LMNARECQLHPGDKDM4E
SCHEMBL3290246 0.66 MEN1 (0.40) ALDH1A1LMNARECQLHPGDKDM4E
SCHEMBL9956454 0.64 MEN1 (0.47) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL30589095 0.64 NPC1 (0.46) ALDH1A1LMNAHPGDKDM4EMEN1
SCHEMBL21828523 0.64 NPC1 (0.46) ALDH1A1LMNAHPGDKDM4EMEN1
SCHEMBL30589030 0.64 NPC1 (0.46) ALDH1A1LMNAHPGDKDM4EMEN1

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 9 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
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 — — US disclosed
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
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
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 — — US 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 ALDH1A1 924/4885LMNA 2815/4885RECQL 270/4885

“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.