SCHEMBL18912907

SCHEMBL18912907

c1ccc(CCNc2cnc3ccccc3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 1/20 0.66
POLB P06746 1/20 0.66
GAA P10253 1/20 0.66
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
PDGFRB P09619 2/20 0.53
PDGFRA P16234 2/20 0.53
PDE10A Q9Y233 3/20 0.51
PDE5A O76074 1/20 0.50
APP P05067 4/20 0.49
MAPK1 P28482 2/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
RHOA P61586 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 1/20 0.46
ELANE P08246 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
SCHEMBL30223599 1.00 KDM4E (0.66) KDM4EALDH1A1POLBGAANPC1
SCHEMBL4156930 0.83 PDGFRB (0.64) KDM4EALDH1A1POLBGAAPDGFRB
SCHEMBL16161575 0.80 PIK3CA (0.48) KDM4EALDH1A1POLBGAANPC1
SCHEMBL16161586 0.80 KDM4E (0.50) KDM4EALDH1A1POLBGAANPC1
SCHEMBL30223495 0.79 KDM4E (0.70) KDM4EALDH1A1POLBGAANPC1
SCHEMBL12199223 0.79 KDM4E (1.00) KDM4EALDH1A1POLBGAANPC1
SCHEMBL6701353 0.79 KDM4E (0.70) KDM4EALDH1A1POLBGAANPC1
SCHEMBL782456 0.77 PTGDR (0.47) KDM4EALDH1A1POLBGAAPDGFRB
Hydrochloric Acid SCHEMBL16161540 0.76 PTGDR (0.46) KDM4EALDH1A1POLBGAAPDGFRB
SCHEMBL16161765 0.76 PIK3CA (0.46) KDM4EALDH1A1POLBGAANPC1

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-20170152225-A9 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE UNIVERSITY OF EAST ANGLIA (GB) 2017-06-01 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-20170152225-A9 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE ITPA, PPA1, PPIP5K2 KDM4E 2572/4885ALDH1A1 2656/4885POLB 1372/4885

“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.