SCHEMBL12972302

SCHEMBL12972302

Cc1cc(Oc2ccc3c(c2)CCN3)nc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NUDT1 P36639 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL2777117 0.85 MEN1 (0.56) RAB9ASMN1; SMN2NPC1DRD2DRD4
SCHEMBL2776702 0.82 HRH3 (0.41) DRD2DRD4HRH3NUDT1APP
SCHEMBL2776946 0.74 HRH3 (0.44) HRH3NUDT1ALDH1A1
SCHEMBL14553221 0.74 HRH3 (0.44) DRD2DRD4HRH3ALDH1A1CYP2C19
SCHEMBL2777149 0.74 HRH3 (0.41) DRD2DRD4HRH3APP
SCHEMBL14619655 0.73 DRD2 (0.47) DRD2DRD4HRH3POLBALDH1A1
SCHEMBL2778635 0.72 DRD2 (0.44) DRD2DRD4HRH3APP
SCHEMBL3183236 0.70 DRD2 (0.47) DRD2DRD4HRH3APP
SCHEMBL7363505 0.70 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2NPC1NUDT1MEN1
SCHEMBL4528068 0.70 NPC1 (0.67) RAB9ASMN1; SMN2NPC1NUDT1MEN1

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 RAB9A 1469/4885SMN1; SMN2 2931/4885NPC1 2800/4885

“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.