SCHEMBL6740206

SCHEMBL6740206

c1ccc(N2CCN(c3nc(N4CCOCC4)nc(N4CCN(c5ccccc5)CC4)n3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.70
HTT P42858 3/20 0.63
POLB P06746 2/20 0.63
MAPT P10636 4/20 0.58
TSHR P16473 2/20 0.58
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
GLA P06280 2/20 0.57
GAA P10253 2/20 0.57
HPGD P15428 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PIK3CA P42336 2/20 0.56
PIK3R1 P27986 1/20 0.56
MTOR P42345 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
AKR1C3 P42330 1/20 0.54

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
SCHEMBL1124300 0.88 HTT (0.62) LMNAHTTPOLBMAPTTSHR
SCHEMBL1123614 0.88 HTT (0.62) LMNAHTTPOLBMAPTTSHR
SCHEMBL1123979 0.88 HTT (0.62) LMNAHTTPOLBMAPTTSHR
SCHEMBL3948094 0.85 LMNA (0.95) LMNAHTTPOLBMAPTTSHR
SCHEMBL254812 0.85 LMNA (0.95) LMNAHTTPOLBMAPTTSHR
SCHEMBL2555823 0.85 LMNA (0.95) LMNAHTTPOLBMAPTTSHR
SCHEMBL1123953 0.85 ALDH1A1 (0.58) LMNAHTTPOLBMAPTTSHR
SCHEMBL1124093 0.85 MAPT (0.65) LMNAHTTPOLBMAPTTSHR
SCHEMBL1124005 0.85 MAPT (0.65) LMNAHTTPOLBMAPTTSHR
SCHEMBL1123997 0.85 ALDH1A1 (0.58) LMNAHTTPOLBMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 US claimed
WO-2004000820-A2 CERTAIN AROMATIC MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 WO claimed
US-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 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-20040082627-A1 Certain aromatic monocycles as kinase modulators MAP3K20, MAP3K1, MAP3K19 LMNA 3782/4885HTT 4779/4885POLB 3482/4885

“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.