SCHEMBL2113080

SCHEMBL2113080

Cn1c(=O)c(CCl)cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.57
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
CA12 O43570 1/20 0.46
BRD4 O60885 1/20 0.46
BRPF1 P55201 1/20 0.46
CA9 Q16790 1/20 0.46
KAT2B Q92831 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
MCL1 Q07820 1/20 0.45
AHR P35869 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
CASP1 P29466 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL30162776 1.00 DAO (0.57) DAODDB1CRBNCA12BRD4
SCHEMBL2736778 0.86 DAO (0.61) DAODDB1CRBNCA12BRD4
SCHEMBL24852495 0.83 DAO (0.62) DAODDB1CRBNCA12BRD4
SCHEMBL9209958 0.83 DAO (0.57) DAODDB1CRBNCA12BRD4
SCHEMBL12933271 0.80 DAO (0.54) DAODDB1CRBNCA12BRD4
SCHEMBL9423391 0.77 ALDH1A1 (0.49) KMT2AHPGDGAAKDM4E
SCHEMBL28165616 0.77 DAO (0.62) DAODDB1CRBNCA12BRD4
SCHEMBL9396355 0.76 CCR2 (0.55) KMT2ALMNAHPGDSMN1; SMN2GAA
SCHEMBL9243039 0.74 KMT2A (0.48) DAOMCL1KMT2A
SCHEMBL715895 0.74 DAO (0.65) DAODDB1CRBNCA12BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling CONFO THERAPEUTICS N.V. (BE) 2024-11-07 US disclosed
CN-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 CN disclosed
US-8158638-B2 Pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-06 US disclosed
EP-2065388-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-06-03 EP 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-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE HSP90AB1, HSP90B1, HSP90AA1 DAO 4310/4885DDB1 237/4885CRBN 3548/4885
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling AGTR2, AGTR1, OPRL1 DAO 1675/4885DDB1 2959/4885CRBN 4226/4885

“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.