SCHEMBL12972241

SCHEMBL12972241

CNc1cc(Oc2ccc3c(c2)CCCN3C(=O)Nc2ccc(C(C)(C)C)cc2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.54
TNNI3K Q59H18 10/20 0.54
MAPK14 Q16539 8/20 0.54
BRAF P15056 5/20 0.54
RAF1 P04049 5/20 0.49
MAP2K7 O14733 3/20 0.48
MAPT P10636 1/20 0.45
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
STK25 O00506 1/20 0.43
CIT O14578 1/20 0.43
IKBKB O14920 1/20 0.43
AURKA O14965 1/20 0.43
GAK O14976 1/20 0.43
CHUK O15111 1/20 0.43
MUSK O15146 1/20 0.43
MAPK13 O15264 1/20 0.43
MAP3K13 O43283 1/20 0.43
DAPK3 O43293 1/20 0.43
MAP3K7 O43318 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
SCHEMBL12972282 0.95 KDR (0.55) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL2780386 0.83 KDR (0.49) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL12972278 0.83 HTR2C (0.46) KDRTNNI3KMAPK14BRAFMAPT
SCHEMBL12972259 0.83 KDR (0.62) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL2778534 0.81 KDR (0.48) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL12972273 0.78 MKNK2 (0.57) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL3174324 0.78 KDR (0.82) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL2778276 0.77 KDR (0.51) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL12972242 0.77 KDR (0.45) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL12972237 0.73 KDR (0.62) KDRTNNI3KMAPK14BRAFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 US disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF KDR 479/4885TNNI3K 270/4885MAPK14 428/4885

“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.