SCHEMBL6330948

SCHEMBL6330948

CC(=O)N1CCN(Cc2cc(C)cc(Nc3ncc(C#N)s3)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.68
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
NTRK1 P04629 1/20 0.40
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL6337878 0.86 KDR (0.73) KDRMEN1KMT2AATMCCNT1
SCHEMBL5743045 0.84 KDR (0.75) KDRNTRK1
SCHEMBL6178074 0.81 KDR (1.00) KDRNTRK1
SCHEMBL6180725 0.80 KDR (0.71) KDRNTRK1
SCHEMBL6328803 0.78 KDR (0.44) KDR
SCHEMBL5889092 0.78 KDR (0.72) KDR
SCHEMBL6180656 0.76 KDR (0.83) KDRMEN1KMT2AATMNTRK1
SCHEMBL6180867 0.75 KDR (0.68) KDRNTRK1
SCHEMBL6330781 0.75 KDR (0.52) KDR
SCHEMBL6179215 0.74 KDR (0.68) KDRMEN1KMT2AATMNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050228031-A1 Tyrosine kinase inhibitors BILODEAU MARK T 2005-10-13 US claimed
US-20050228031-A1 Tyrosine kinase inhibitors BILODEAU MARK T 2005-10-13 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-20050228031-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885FLT1 4/4885FLT4 7/4885

“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.