SCHEMBL660406

SCHEMBL660406

Cc1cc(OCc2cn(C)cn2)c2cccc(O)c2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BDKRB2 P30411 8/20 0.37
KRAS P01116 1/20 0.35
METAP2 P50579 1/20 0.35
ACACB O00763 1/20 0.34
PDE10A Q9Y233 1/20 0.34
SYK P43405 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6965159 0.80 SYK (0.47) KDM4EMAPTSMN1; SMN2BDKRB2SYK
SCHEMBL6643616 0.77 KDM4E (0.52) KDM4EMAPTSMN1; SMN2METAP2MEN1
SCHEMBL659884 0.77 BDKRB2 (0.45) KDM4EMAPTSMN1; SMN2BDKRB2KRAS
SCHEMBL6639297 0.75 KDM4E (0.50) KDM4EMAPTSMN1; SMN2METAP2ALDH1A1
SCHEMBL660152 0.74 KDM4E (0.44) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6643288 0.74 KDM4E (0.49) KDM4EMAPTSMN1; SMN2METAP2PDE10A
SCHEMBL7748595 0.73 ABCB1 (0.44) KDM4EMAPTSMN1; SMN2PDE10A
SCHEMBL6643141 0.73 KDM4E (0.48) KDM4EMAPTSMN1; SMN2METAP2PDE10A
SCHEMBL659122 0.73 KDM4E (0.76) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL2875528 0.72 CRHR1 (0.55) KDM4EMAPTSMN1; SMN2METAP2PDE10A

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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR KDM4E 3092/4885MAPT 2300/4885SMN1; SMN2 4878/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR KDM4E 3092/4885MAPT 2300/4885SMN1; SMN2 4878/4885

“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.