SCHEMBL10183646

SCHEMBL10183646

Cc1cc(C(=O)Nc2cccc(-c3cncc(C(=O)N=S(C)(=O)c4ccc(NCCCN(C)C)cc4)c3)c2)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.36
PDGFRB P09619 7/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
TOP2B Q02880 1/20 0.35
F10 P00742 2/20 0.35
BRAF P15056 1/20 0.35
PIP4K2A P48426 1/20 0.34
PIP4K2B P78356 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
FYN P06241 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34

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
SCHEMBL833298 0.89 KDR (0.50) KDRPDGFRB
SCHEMBL872934 0.86 KDR (0.41) KDRPDGFRBBRAFPIP4K2APIP4K2B
SCHEMBL12750933 0.83 KDR (0.49) KDRPDGFRB
SCHEMBL10182347 0.83 KDR (0.37) KDRPDGFRBBRAFPIP4K2APIP4K2B
SCHEMBL12750948 0.82 KDR (0.49) KDRPDGFRB
SCHEMBL871885 0.82 HDAC1 (0.36) KDRPDGFRBBRAFPIP4K2APIP4K2B
SCHEMBL869770 0.82 KMT2A (0.38) KDRPDGFRBBRAFPIP4K2APIP4K2B
SCHEMBL10182669 0.81 CA1 (0.44) ABL1BCRFYN
SCHEMBL10183846 0.81 PDGFRB (0.36) KDRPDGFRBBRAFPIP4K2APIP4K2B
SCHEMBL10182506 0.80 KMT2A (0.39) KDRPDGFRBBRAFPIP4K2APIP4K2B

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-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ABL1 173/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ABL1 173/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885ABL1 173/4885

“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.