SCHEMBL56441

SCHEMBL56441

NC(=O)Nc1ccccc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 4/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
CYP1A2 P05177 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.39
LIPE Q05469 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3149525 0.83 RAB9A (0.45) GAAKDM4EALDH1A1RECQLSMN1; SMN2
SCHEMBL29469169 0.83 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2POLBCYP1A2
SCHEMBL521100 0.83 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2POLBCYP1A2
SCHEMBL3928666 0.82 GAA (0.67) GAAKDM4EALDH1A1RECQLSMN1; SMN2
SCHEMBL29840068 0.82 GAA (0.67) GAAKDM4EALDH1A1RECQLSMN1; SMN2
SCHEMBL3419443 0.82 L3MBTL1 (0.55) GAAKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL7040695 0.80 ALDH1A1 (0.70) ALDH1A1RECQLSMN1; SMN2POLBNPC1
SCHEMBL3638868 0.80 HPGD (0.49) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL3782028 0.79 POLB (0.62) SMN1; SMN2POLBMAPTCYP1A2NPC1
SCHEMBL16237570 0.79 MDM4 (0.62) GAAKDM4EALDH1A1RECQLSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP disclosed
EP-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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 (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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD GAA 2638/4885KDM4E 1987/4885ALDH1A1 2453/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 GAA 851/4885KDM4E 2732/4885ALDH1A1 3275/4885

“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.