SCHEMBL12829329

SCHEMBL12829329

CCNc1nc2cc(C(C)(C)C)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.47
TRPV1 Q8NER1 6/20 0.44
POLB P06746 1/20 0.43
RIPK1 Q13546 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CSNK1D P48730 1/20 0.40
CSNK1G2 P78368 1/20 0.40
MAP3K5 Q99683 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 1/20 0.39
NCS1 P62166 1/20 0.38
CLK1 P49759 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL10189655 0.88 CSNK1D (0.49) DYRK1APOLBRIPK1NPC1RAB9A
SCHEMBL11832198 0.83 DYRK1A (0.50) DYRK1ATRPV1CSNK1DCSNK1G2MAP3K5
SCHEMBL15451030 0.80 DYRK1A (0.59) DYRK1APOLBRIPK1NPC1RAB9A
SCHEMBL4500811 0.78 NPC1 (0.50) DYRK1APOLBRIPK1NPC1RAB9A
SCHEMBL3795843 0.78 DYRK1A (0.60) DYRK1APOLBRIPK1NPC1RAB9A
SCHEMBL4513162 0.77 POLB (0.49) DYRK1APOLBRIPK1NPC1RAB9A
SCHEMBL18233043 0.77 NPC1 (0.60) DYRK1APOLBNPC1RAB9ACSNK1D
SCHEMBL9883988 0.77 DYRK1A (0.78) DYRK1ANPC1RAB9AMAP3K5SMN1; SMN2
SCHEMBL14791428 0.76 NPC1 (0.59) DYRK1ATRPV1NPC1RAB9AHDAC3
SCHEMBL1913774 0.74 NPC1 (0.61) DYRK1APOLBNPC1RAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 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-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 DYRK1A 673/4885TRPV1 3586/4885POLB 1654/4885

“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.