SCHEMBL3542935

SCHEMBL3542935

COc1ccc2c(-c3nc4cc(N5CCC(N6CCC(N(C)C)CC6)CC5)ccc4[nH]3)n[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.64
FGFR1 P11362 10/20 0.54
FLT1 P17948 9/20 0.54
KDR P35968 1/20 0.53
BCR P11274 4/20 0.49
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
FLT3 P36888 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
SCHEMBL3540171 0.95 ABL1 (0.58) ABL1FGFR1FLT1KDRBCR
SCHEMBL3535806 0.94 ABL1 (0.72) ABL1FGFR1FLT1KDRBCR
SCHEMBL3534492 0.92 ABL1 (0.75) ABL1FGFR1FLT1KDRBCR
SCHEMBL5866633 0.91 ABL1 (0.77) ABL1FGFR1FLT1KDRBCR
SCHEMBL3534965 0.89 ABL1 (0.68) ABL1FGFR1FLT1KDRBCR
SCHEMBL3535472 0.89 ABL1 (0.67) ABL1FGFR1FLT1KDRBCR
SCHEMBL3535846 0.89 ABL1 (0.66) ABL1FGFR1FLT1KDRBCR
SCHEMBL3538447 0.88 FGFR1 (0.69) ABL1FGFR1FLT1KDRBCR
SCHEMBL3543324 0.88 ABL1 (0.68) ABL1FGFR1FLT1KDRBCR
SCHEMBL3539015 0.88 FGFR1 (0.55) ABL1FGFR1FLT1KDRBCR

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-7858792-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-12-28 US disclosed
US-7569588-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-08-04 US disclosed
US-20090176767-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-09 US disclosed
US-20060205949-A1 Crystalline forms of a biphenyl compound THERAVANCE, INC. 2006-09-14 US disclosed
US-20050203083-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 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 (3 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-20060205949-A1 Crystalline forms of a biphenyl compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6, SULT2A1 ABL1 1065/4885FGFR1 15/4885FLT1 1390/4885
US-20050203083-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ABL1 3323/4885FGFR1 724/4885FLT1 914/4885
US-20090176767-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ABL1 3323/4885FGFR1 724/4885FLT1 914/4885

“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.