SCHEMBL12972303

SCHEMBL12972303

Nc1nccc(Oc2ccc3c(c2)CCN3C(=O)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.61
FLT1 P17948 2/20 0.61
FLT4 P35916 2/20 0.61
RET P07949 1/20 0.61
PDGFRB P09619 1/20 0.61
KIT P10721 1/20 0.61
HTR2A P28223 7/20 0.54
HTR2C P28335 7/20 0.54
RIPK1 Q13546 1/20 0.53
HTR2B P41595 4/20 0.51
BRAF P15056 3/20 0.49
MAPK14 Q16539 3/20 0.49
TNNI3K Q59H18 3/20 0.49
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
CDK8 P49336 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL12972314 0.95 KDR (0.59) KDRFLT1FLT4RETPDGFRB
SCHEMBL12972255 0.94 KDR (0.58) KDRFLT1FLT4RETPDGFRB
SCHEMBL12972298 0.88 KDR (0.61) KDRFLT1FLT4RETPDGFRB
SCHEMBL12972308 0.88 KDR (0.49) KDRFLT1FLT4RETPDGFRB
SCHEMBL12972320 0.87 KDR (0.49) KDRFLT1FLT4RETPDGFRB
SCHEMBL2433982 0.86 KDR (0.58) KDRFLT1FLT4RETPDGFRB
SCHEMBL12972419 0.85 KDR (0.67) KDRFLT1FLT4HTR2AHTR2C
SCHEMBL2433250 0.84 KDR (0.60) KDRFLT1FLT4RETPDGFRB
SCHEMBL14476382 0.84 HTR2A (0.55) KDRRETHTR2AHTR2CRIPK1
SCHEMBL14553225 0.83 HTR2A (0.57) KDRRETHTR2AHTR2CRIPK1

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 479/4885FLT1 464/4885FLT4 925/4885

“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.