SCHEMBL13764446

SCHEMBL13764446

Ic1ccc(CN2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 0.45
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CCR2 P41597 1/20 0.40
CXCL12 P48061 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PAICS P22234 1/20 0.40
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK7 Q13164 1/20 0.38

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
SCHEMBL20456859 0.82 EED (0.41) CXCR4KDM5CKDM4CKMT2AALDH1A1
SCHEMBL13187501 0.80 HRH3 (0.53) CXCR4HRH3MEN1KMT2AALDH1A1
SCHEMBL30911535 0.80 KDM4E (0.44) HRH3TDP1PAICSLMNAMAPK7
SCHEMBL3314825 0.80 CXCR4 (0.45) CXCR4KDM5CKDM4CSIGMAR1HRH3
SCHEMBL20160684 0.80 CXCR4 (0.49) CXCR4KDM5CKDM4CSIGMAR1HRH3
SCHEMBL3065752 0.80 CXCR4 (0.45) CXCR4KDM5CKDM4CSIGMAR1HRH3
SCHEMBL20255286 0.78 CXCR4 (0.43) CXCR4KDM5CKDM4CSIGMAR1HRH3
SCHEMBL23944117 0.76 HRH3 (0.49) CXCR4KDM5CKDM4CSIGMAR1HRH3
SCHEMBL21618368 0.76 TEAD1 (0.52) CXCR4KDM5CKDM4CSIGMAR1KMT2A
SCHEMBL20803980 0.76 CXCR4 (0.42) CXCR4KDM5CKDM4CSIGMAR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 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-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 CXCR4 1968/4885KDM5C 2647/4885KDM4C 2370/4885

“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.