SCHEMBL12972316

SCHEMBL12972316

Nc1cc(Oc2ccc3c(c2)CCCN3C(=O)Nc2ccc(CN3CCCC3)c(C(F)(F)F)c2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 4/20 0.53
NR2C2 P49116 3/20 0.53
SRC P12931 6/20 0.51
KDR P35968 6/20 0.51
ABL1 P00519 5/20 0.51
MAPK14 Q16539 4/20 0.51
MKNK2 Q9HBH9 3/20 0.51
BRAF P15056 3/20 0.51
TNNI3K Q59H18 3/20 0.51
CDK2 P24941 2/20 0.51
CDK8 P49336 2/20 0.51
MKNK1 Q9BUB5 2/20 0.51
FLT1 P17948 2/20 0.51
FLT4 P35916 2/20 0.51
AXL P30530 2/20 0.51
FLT3 P36888 2/20 0.51
MERTK Q12866 2/20 0.51
MAP3K7 O43318 2/20 0.51
FES P07332 2/20 0.51
FER P16591 2/20 0.51

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
SCHEMBL2777686 0.88 SRC (0.52) HCKNR2C2SRCKDRABL1
SCHEMBL12972402 0.85 HCK (0.57) HCKNR2C2SRCKDRABL1
SCHEMBL3177191 0.83 SRC (0.68) HCKNR2C2SRCKDRABL1
SCHEMBL12972326 0.83 CDK8 (0.74) HCKSRCKDRABL1MAPK14
SCHEMBL2777199 0.82 SRC (0.54) HCKNR2C2SRCKDRABL1
SCHEMBL12972324 0.82 CDK8 (0.62) HCKSRCKDRABL1MAPK14
SCHEMBL12972266 0.82 CDK8 (0.73) HCKSRCKDRABL1MAPK14
SCHEMBL12972237 0.82 KDR (0.62) KDRMAPK14BRAFTNNI3KCDK8
SCHEMBL2779084 0.81 KDR (0.52) HCKNR2C2SRCKDRABL1
SCHEMBL12972263 0.81 KDR (0.62) KDRMAPK14BRAFTNNI3KCDK8

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 HCK 11/4885NR2C2 163/4885SRC 6/4885

“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.