SCHEMBL529916

SCHEMBL529916

COc1ccccc1C(=O)N(C)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
L3MBTL1 Q9Y468 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
RXFP1 Q9HBX9 1/20 0.51
PLAU P00749 1/20 0.49
CTSD P07339 1/20 0.49
HTT P42858 1/20 0.49
PDE2A O00408 1/20 0.48
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL5319192 0.89 RAB9A (0.51) POLBL3MBTL1NPC1RAB9APLAU
SCHEMBL14490115 0.87 POLB (0.54) POLBL3MBTL1NPC1RAB9ARXFP1
SCHEMBL18816716 0.86 PLAU (0.67) POLBL3MBTL1NPC1RAB9APLAU
SCHEMBL18816702 0.85 POLB (0.53) POLBL3MBTL1NPC1RAB9ARXFP1
SCHEMBL18816708 0.84 PLAU (0.54) POLBL3MBTL1NPC1RAB9APLAU
SCHEMBL9001638 0.83 POLB (0.75) POLBL3MBTL1HTTKDM4EKMT2A
SCHEMBL531529 0.83 L3MBTL1 (0.60) POLBL3MBTL1RAB9AHTTKDM4E
SCHEMBL530230 0.82 TSHR (0.63) POLBL3MBTL1NPC1RAB9AHTT
SCHEMBL2541558 0.82 CTSD (0.55) L3MBTL1NPC1RAB9ACTSDHTT
SCHEMBL18816695 0.82 GPBAR1 (0.57) POLBL3MBTL1NPC1RAB9APLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP claimed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP claimed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO claimed
US-10611766-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer LOXO ONCOLOGY INC. (US) 2020-04-07 US disclosed
US-10399990-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer LOXO ONCOLOGY, INC. (US) 2019-09-03 US disclosed
US-10399989-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer LOXO ONCOLOGY, INC. (US) 2019-09-03 US disclosed
US-20180362533-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER REDX PHARMA PLC. (GB) 2018-12-20 US disclosed
US-20180362537-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER REDX PHARMA PLC (GB) 2018-12-20 US disclosed
US-20180298008-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER REDX PHARMA PLC (GB) 2018-10-18 US disclosed
EP-3350184-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER Loxo Oncology Inc. (US) 2018-07-25 EP disclosed
US-9975897-B2 Pyrazolopyrimidine derivatives useful as inhibitors of Bruton's tyrosine kinase LOXO ONCOLOGY, INC. (US) 2018-05-22 US disclosed
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase LOXO ONCOLOGY, INC. 2017-05-11 US disclosed
WO-2017046604-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER REDX PHARMA PLC (GB) 2017-03-23 WO disclosed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 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 (7 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-10611766-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK POLB 2946/4885L3MBTL1 1059/4885NPC1 4170/4885
US-10399990-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK POLB 2946/4885L3MBTL1 1059/4885NPC1 4170/4885
US-10399989-B2 Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer BTK, SYK, LCK POLB 2946/4885L3MBTL1 1059/4885NPC1 4170/4885
US-20180362537-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK POLB 2946/4885L3MBTL1 1059/4885NPC1 4170/4885
US-20180298008-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK POLB 2946/4885L3MBTL1 1059/4885NPC1 4170/4885
US-20180362533-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER BTK, SYK, LCK POLB 2946/4885L3MBTL1 1059/4885NPC1 4170/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK POLB 2100/4885L3MBTL1 1808/4885NPC1 4178/4885

“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.