SCHEMBL20837413

SCHEMBL20837413

CCN1CCN(c2ccc(Nc3cc(NC)nc(Cl)n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ WEE1 P30291 5/20 0.48
▸ ALK Q9UM73 5/20 0.48
▸ FGFR1 P11362 3/20 0.47
▸ PDGFRA P16234 3/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ NTRK1 P04629 2/20 0.47
▸ BTK Q06187 2/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ LCK P06239 2/20 0.47
▸ FYN P06241 2/20 0.47
▸ RET P07949 2/20 0.47
▸ MET P08581 2/20 0.47
▸ FLT1 P17948 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ MST1R Q04912 2/20 0.47

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
SCHEMBL18398034 0.84 ABCG2 (0.58) KDM1AADRA2AADRA2BADRA2CJAK2
SCHEMBL374708 0.82 HCK (0.58) KDM1AADRA2AADRA2BADRA2CWEE1
SCHEMBL20816283 0.81 MAPT (0.54) KDM1AADRA2AADRA2BADRA2CWEE1
SCHEMBL2377742 0.75 RAD52 (0.62) KDM1AADRA2AADRA2BADRA2CRAD52
SCHEMBL14660127 0.74 CD274 (0.57) KDM1AADRA2AADRA2BADRA2CWEE1
SCHEMBL374566 0.72 CDK9 (0.53) KDM1AADRA2AADRA2BADRA2CWEE1
SCHEMBL373634 0.72 HCK (0.56) KDM1AADRA2AADRA2BADRA2CWEE1
SCHEMBL19848775 0.71 HCK (0.55) KDM1AADRA2AADRA2BADRA2CWEE1
SCHEMBL4724629 0.71 GAA (0.50) KDM1AADRA2AADRA2BADRA2CFGFR1
SCHEMBL4941458 0.71 FGFR4 (0.43) WEE1ALKFGFR1PDGFRACDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190083499-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2019-03-21 — — 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-20190083499-A1 CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS MKI67, CTCF, CDKN1A KDM1A 209/4885ADRA2A 2743/4885ADRA2B 1333/4885

“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.

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