SCHEMBL4358482

SCHEMBL4358482

CC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(N3CCCC3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.58
BRAF P15056 2/20 0.49
GALR2 O43603 2/20 0.48
CNR1 P21554 5/20 0.48
BCR P11274 5/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
MCHR1 Q99705 1/20 0.46
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
RAF1 P04049 1/20 0.43

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
SCHEMBL4358479 0.92 ABL1 (0.55) ABL1BRAFBCRKDM4EMAPT
SCHEMBL4356957 0.87 ABL1 (0.70) ABL1BRAFBCRKDM4EMAPT
SCHEMBL13632703 0.85 CNR1 (0.48) CNR1MAPTTP53
SCHEMBL4362070 0.85 GALR2 (0.47) ABL1BRAFGALR2CNR1BCR
SCHEMBL13621815 0.84 ABL1 (0.58) ABL1BRAFGALR2CNR1BCR
SCHEMBL3997711 0.84 ABL1 (0.63) ABL1BRAFBCRKDM4EMAPT
SCHEMBL3451860 0.79 ABL1 (0.57) ABL1BRAFGALR2BCRKDM4E
SCHEMBL3451111 0.77 PIK3CA (0.63) ABL1BRAFBCRKDM4EMAPT
SCHEMBL3996650 0.77 ABL1 (0.56) ABL1BRAFBCRMAPK1MCHR1
SCHEMBL13621817 0.76 ABL1 (0.55) ABL1BRAFBCRKDM4EMAPT

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 3158/4885BRAF 1104/4885GALR2 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.