SCHEMBL4358342

SCHEMBL4358342

Fc1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(N3CCOCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.56
BCR P11274 5/20 0.56
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
AKT1 P31749 3/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
PRKDC P78527 1/20 0.45
MCHR1 Q99705 1/20 0.44
MAPT P10636 2/20 0.44
PIM1 P11309 1/20 0.44
GALR2 O43603 1/20 0.43
NPC1 O15118 1/20 0.43
AR P10275 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3997867 0.88 L3MBTL1 (0.50) ABL1BCRMCHR1PIM1GALR2
SCHEMBL4002840 0.86 SCN9A (0.46) ABL1BCRMAPTGALR2KDM4E
SCHEMBL28043071 0.85 ABL1 (0.52) ABL1BCRCTSSCTSKAKT1
SCHEMBL3451786 0.83 ABL1 (0.63) ABL1BCRCTSSCTSKAKT1
SCHEMBL4124009 0.82 PIK3CA (0.47) ABL1BCRAKT1PIK3CAMTOR
SCHEMBL4002168 0.82 ALOX5 (0.50) ABL1BCRALOX5
SCHEMBL4004651 0.82 ABL1 (0.61) ABL1BCRCTSSCTSKAKT1
SCHEMBL4358479 0.81 ABL1 (0.55) ABL1BCRCTSSCTSKAKT1
SCHEMBL3996650 0.81 ABL1 (0.56) ABL1BCRCTSSCTSKAKT1
SCHEMBL4281796 0.81 ABL1 (0.48) ABL1BCRCTSSCTSKAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP ABL1 3158/4885BCR 566/4885CTSS 1397/4885

“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.