SCHEMBL2777014

SCHEMBL2777014

Nc1cc(Oc2ccc3c(c2)CCCN3)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP11B2 P19099 1/20 0.35
KDR P35968 3/20 0.34

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
SCHEMBL2777149 0.92 HRH3 (0.41) HRH3CA12CA1CA2CA9
SCHEMBL14013058 0.82 HRH3 (0.36) HRH3KDRBRAFMAPK14TNNI3K
SCHEMBL2778751 0.81 KDR (0.44) HRH3CA12CA1CA2CA9
SCHEMBL2776946 0.80 HRH3 (0.44) HRH3CA12CA1CA2CA9
SCHEMBL2435222 0.79 AURKA (0.44) MAPTGAAALDH1A1HSD17B10KDR
SCHEMBL2777158 0.76 DRD2 (0.43) HRH3CA12CA1CA2CA9
SCHEMBL3183202 0.74 HRH3 (0.48) HRH3CA12CA1CA2CA9
SCHEMBL2779716 0.73 KDR (0.46) HRH3KDRBRAFMAPK14TNNI3K
SCHEMBL2776702 0.71 HRH3 (0.41) HRH3CA12CA1CA2CA9
SCHEMBL665048 0.70 CA12 (0.53) HRH3CA12CA1CA2CA9

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 HRH3 526/4885CA12 2999/4885CA1 1364/4885

“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.