SCHEMBL2776511

SCHEMBL2776511

CN1CCC(Oc2ccc(NC(=O)N3CCc4cc(Oc5cc(Cl)ncn5)ccc43)cc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.54
FGFR1 P11362 1/20 0.54
BRAF P15056 5/20 0.50
HTR2C P28335 13/20 0.45
HTR2A P28223 10/20 0.45
HTR2B P41595 9/20 0.45
CYP1A2 P05177 6/20 0.45
RAF1 P04049 2/20 0.44
ARAF P10398 2/20 0.44
CYP2C9 P11712 1/20 0.42
HTR6 P50406 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
SCHEMBL12972390 0.91 KDR (0.52) KDRFGFR1BRAFHTR2CHTR2A
SCHEMBL2776752 0.86 KDR (0.49) KDRFGFR1HTR2CHTR2AHTR2B
SCHEMBL4933246 0.86 KDR (0.63) KDRFGFR1BRAFRAF1ARAF
SCHEMBL2778180 0.86 HTR2C (0.47) HTR2CHTR2AHTR2BCYP1A2CYP2C9
SCHEMBL2778183 0.83 HTR2C (0.44) HTR2CHTR2AHTR2BCYP1A2CYP2C9
SCHEMBL2777199 0.83 SRC (0.54) KDRFGFR1BRAFRAF1
SCHEMBL2778347 0.82 KDR (0.42) KDRBRAFHTR2CHTR2AHTR2B
SCHEMBL2777281 0.82 AR (0.46) KDRBRAFHTR2CHTR2AHTR2B
SCHEMBL2777572 0.82 KDR (0.43) KDRFGFR1BRAFHTR2CHTR2A
SCHEMBL2782677 0.82 HTR2C (0.42) KDRFGFR1BRAFHTR2CHTR2A

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 915/4885BRAF 3/4885

“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.