SCHEMBL12422280

SCHEMBL12422280

Nc1ncnc2c1c(I)nn2C1CC(O)C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.80
RET P07949 3/20 0.80
SRC P12931 3/20 0.80
DYRK3 O43781 2/20 0.80
CDK1 P06493 2/20 0.80
ROS1 P08922 2/20 0.80
RPS6KB1 P23443 2/20 0.80
CDK2 P24941 2/20 0.80
CSNK1A1 P48729 2/20 0.80
CSNK1D P48730 2/20 0.80
CLK2 P49760 2/20 0.80
IRAK1 P51617 2/20 0.80
CDK5 Q00535 2/20 0.80
DYRK1A Q13627 2/20 0.80
NTRK3 Q16288 2/20 0.80
SLK Q9H2G2 2/20 0.80
CLK4 Q9HAZ1 2/20 0.80
JAK2 O60674 2/20 0.80
CDC7 O00311 1/20 0.80
PLK4 O00444 1/20 0.80

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
SCHEMBL22243320 0.90 KDR (0.87) KDRRETSRCDYRK3CDK1
SCHEMBL6109043 0.89 KDR (1.00) KDRRETSRCDYRK3CDK1
SCHEMBL6109435 0.89 KDR (1.00) KDRRETSRCDYRK3CDK1
SCHEMBL6109045 0.89 KDR (1.00) KDRRETSRCDYRK3CDK1
SCHEMBL20533184 0.88 SRC (0.67) KDRRETSRCDYRK3CDK1
SCHEMBL22243341 0.88 KDR (0.74) KDRRETSRCDYRK3CDK1
SCHEMBL22243293 0.88 KDR (0.74) KDRRETSRCDYRK3CDK1
SCHEMBL24096480 0.86 JAK2 (0.86) KDRRETSRCDYRK3CDK1
SCHEMBL20533742 0.84 RET (0.68) KDRRETSRCDYRK3CDK1
SCHEMBL1318717 0.84 SRC (0.77) KDRRETSRCDYRK3CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009436-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2019-06-05 EP disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
EP-3009436-A1 KINASE INHIBITORS AND METHODS OF USE Intellikine, LLC (US) 2016-04-20 EP disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
EP-2313414-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2015-11-04 EP disclosed
US-9096611-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-08-04 US disclosed
US-9096611-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-08-04 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
WO-2010006086-A2 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-01-14 WO 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 (2 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-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 KDR 698/4885RET 443/4885SRC 54/4885
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 KDR 698/4885RET 443/4885SRC 54/4885

“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.