SCHEMBL6740424

SCHEMBL6740424

Fc1ccccc1N1CCN(c2nc(N3CCOCC3)nc(N3CCN(c4ccccc4F)CC3)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
LMNA P02545 3/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTR2A P28223 1/20 0.50
AOC3 Q16853 1/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
PIK3CA P42336 3/20 0.49
PIK3R1 P27986 2/20 0.49
MTOR P42345 2/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL1123890 0.90 KDM4E (0.51) POLBLMNAHPGDKDM4EALDH1A1
SCHEMBL1123978 0.90 PIK3CB (0.54) POLBLMNAHPGDHTTKDM4E
SCHEMBL1123969 0.90 KDM4E (0.51) POLBLMNAHPGDKDM4EALDH1A1
SCHEMBL1123911 0.90 PIK3CB (0.54) POLBLMNAHPGDHTTKDM4E
SCHEMBL6036708 0.88 ALDH1A1 (0.62) POLBLMNAHPGDKDM4EALDH1A1
SCHEMBL1123822 0.85 PIK3CB (0.50) POLBLMNAHPGDHTTKDM4E
SCHEMBL1123887 0.85 ALDH1A1 (0.53) POLBLMNAHPGDKDM4EALDH1A1
SCHEMBL1124073 0.84 TSHR (0.50) POLBLMNAHPGDKDM4EALDH1A1
SCHEMBL1124234 0.83 KMT2A (0.52) POLBLMNAHPGDHTTKDM4E
SCHEMBL1124057 0.83 HSD17B10 (0.49) POLBLMNAHPGDHTTKDM4E

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-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
WO-2004000820-A2 CERTAIN AROMATIC MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 WO 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 POLB 3482/4885LMNA 3782/4885HPGD 4061/4885

“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.