SCHEMBL2776954

SCHEMBL2776954

O=C(Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1)N1CCc2cc(Oc3cc(Cl)ncn3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.51
FGFR1 P11362 1/20 0.51
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAF1 P04049 2/20 0.45
HTR2C P28335 10/20 0.42
HTR2A P28223 9/20 0.42
HTR2B P41595 9/20 0.42
CYP1A2 P05177 2/20 0.42
MAP2K7 O14733 1/20 0.42
CYP2C9 P11712 1/20 0.41
HTR6 P50406 1/20 0.41
BRAF P15056 3/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL2776752 0.91 KDR (0.49) KDRFGFR1HTR2CHTR2AHTR2B
SCHEMBL12972340 0.90 KDR (0.47) KDRFGFR1MAPTTP53THRB
SCHEMBL2782680 0.90 HTR2C (0.42) KDRFGFR1HTR2CHTR2AHTR2B
SCHEMBL2782677 0.90 HTR2C (0.42) KDRFGFR1HTR2CHTR2AHTR2B
SCHEMBL12972327 0.89 KDR (0.47) KDRFGFR1MAPTTP53THRB
SCHEMBL2779084 0.89 KDR (0.52) KDRFGFR1RAF1HTR2CHTR2A
SCHEMBL2777572 0.88 KDR (0.43) KDRFGFR1HTR2CHTR2AHTR2B
SCHEMBL12972328 0.87 KDR (0.47) KDRFGFR1MAPTTP53THRB
SCHEMBL12972329 0.87 KDR (0.44) KDRFGFR1MAPTTP53THRB
SCHEMBL12972360 0.87 KDR (0.47) KDRFGFR1MAPTTP53THRB

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 2 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-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 479/4885FGFR1 915/4885MAPT 2960/4885

“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.