SCHEMBL12972249

SCHEMBL12972249

Nc1nc(Cl)cc(Oc2ccc3c(c2)CCCCN3C(=O)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.58
RIPK1 Q13546 1/20 0.46
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
NTRK1 P04629 1/20 0.45
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
RET P07949 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
HTR2B P41595 2/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL12972298 0.94 KDR (0.61) KDRRIPK1HTR2AHTR2CNTRK1
SCHEMBL12972255 0.89 KDR (0.58) KDRRIPK1HTR2AHTR2CFLT1
SCHEMBL12972254 0.87 KDR (0.50) KDRRIPK1HTR2AHTR2CFLT1
SCHEMBL12972314 0.86 KDR (0.59) KDRRIPK1HTR2AHTR2CFLT1
SCHEMBL12972263 0.85 KDR (0.62) KDRRIPK1HTR2AHTR2CFLT1
SCHEMBL12972303 0.83 KDR (0.61) KDRRIPK1HTR2AHTR2CFLT1
SCHEMBL2434342 0.82 KDR (0.60) KDRNTRK1FLT1FLT4RET
SCHEMBL12972237 0.82 KDR (0.62) KDRRIPK1HTR2AHTR2CFLT1
SCHEMBL12972418 0.81 KDR (0.52) KDRHTR2AHTR2CSMN1; SMN2MAPT
SCHEMBL12972265 0.81 CDK2 (0.58) KDRRIPK1NTRK1FLT1FLT4

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 479/4885RIPK1 792/4885HTR2A 3518/4885

“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.