SCHEMBL2776702

SCHEMBL2776702

Nc1nccc(Oc2ccc3c(c2)CCN3)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
APP P05067 1/20 0.37
KDR P35968 4/20 0.36
NUDT1 P36639 2/20 0.36
CDK2 P24941 2/20 0.36
CDK1 P06493 1/20 0.36
CDK8 P49336 1/20 0.36
FLT1 P17948 2/20 0.35
FLT4 P35916 2/20 0.35
RET P07949 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
CDC7 O00311 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK9 P50750 1/20 0.34
PLK1 P53350 1/20 0.34
CCNA1 P78396 1/20 0.34
CA12 O43570 1/20 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
SCHEMBL2776946 0.92 HRH3 (0.44) HRH3KDRNUDT1CDK2CDK1
SCHEMBL2778635 0.85 DRD2 (0.44) HRH3DRD2DRD4APPCA12
SCHEMBL12972302 0.82 RAB9A (0.51) HRH3DRD2DRD4APPNUDT1
SCHEMBL2777117 0.82 MEN1 (0.56) HRH3DRD2DRD4KDRCA12
SCHEMBL2777149 0.78 HRH3 (0.41) HRH3DRD2DRD4APPKDR
SCHEMBL2435821 0.78 AURKA (0.47) KDRNUDT1CDK2CDK1CDK8
SCHEMBL4533554 0.73 CDK2 (0.52) DRD2DRD4KDRCDK2CDC7
SCHEMBL14553221 0.73 HRH3 (0.44) HRH3DRD2DRD4APPS1PR1
SCHEMBL2777158 0.73 DRD2 (0.43) HRH3DRD2DRD4APPCA12
SCHEMBL24229628 0.73 RIPK1 (0.40) KDRNUDT1FLT1FLT4RET

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 526/4885DRD2 3657/4885DRD4 4319/4885

“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.