SCHEMBL2777281

SCHEMBL2777281

N#Cc1ccc(NC(=O)N2CCc3cc(Oc4cc(Cl)ncn4)ccc32)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.46
KDR P35968 4/20 0.45
BRAF P15056 2/20 0.44
HTR2A P28223 8/20 0.43
HTR2C P28335 8/20 0.43
HTR2B P41595 7/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.42
HTR6 P50406 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 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
SCHEMBL12972364 0.89 CSF1R (0.47) ARKDRBRAFHTR2AHTR2C
SCHEMBL2776752 0.86 KDR (0.49) KDRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL2776954 0.85 KDR (0.51) KDRBRAFHTR2AHTR2CHTR2B
SCHEMBL2782680 0.85 HTR2C (0.42) KDRBRAFHTR2AHTR2CHTR2B
SCHEMBL2782677 0.85 HTR2C (0.42) KDRBRAFHTR2AHTR2CHTR2B
SCHEMBL2778180 0.84 HTR2C (0.47) HTR2AHTR2CHTR2BCYP1A2CYP2C9
SCHEMBL2777686 0.84 SRC (0.52) KDRBRAFHTR2AHTR2CHTR2B
SCHEMBL2777610 0.83 HTR2C (0.44) HTR2AHTR2CHTR2BCYP1A2CYP2C9
SCHEMBL2777572 0.83 KDR (0.43) KDRBRAFHTR2AHTR2CHTR2B
SCHEMBL2778523 0.83 RIPK1 (0.54) KDRBRAFHTR2AHTR2CHTR2B

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 AR 1269/4885KDR 479/4885BRAF 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.