SCHEMBL12120899

SCHEMBL12120899

Clc1cnc2nc(Nc3ccccc3)ncc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.50
▸ JAK2 O60674 2/20 0.50
▸ LRRK2 Q5S007 1/20 0.50
▸ AURKA O14965 3/20 0.46
▸ IGF1R P08069 2/20 0.46
▸ GSK3A P49840 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ CDK5 Q00535 2/20 0.46
▸ PDPK1 O15530 2/20 0.46
▸ CDK1 P06493 2/20 0.46
▸ LYN P07948 2/20 0.46
▸ FGFR1 P11362 2/20 0.46
▸ FGFR3 P22607 2/20 0.46
▸ RPS6KB1 P23443 2/20 0.46
▸ MARK3 P27448 2/20 0.46
▸ BLK P51451 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.46
▸ ERBB4 Q15303 2/20 0.46
▸ MARK2 Q7KZI7 2/20 0.46
▸ PLK3 Q9H4B4 2/20 0.46

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
SCHEMBL12120895 0.79 JAK2 (0.51) CDK2JAK2LRRK2AURKAIGF1R
SCHEMBL12120897 0.75 CDK2 (0.54) CDK2JAK2LRRK2AURKAIGF1R
SCHEMBL13534240 0.75 JAK2 (0.50) CDK2JAK2LRRK2AURKAIGF1R
SCHEMBL20953573 0.72 CDK2 (0.50) CDK2JAK2LRRK2AURKAIGF1R
SCHEMBL993953 0.71 JAK2 (0.66) CDK2JAK2LRRK2AURKAIGF1R
SCHEMBL15391316 0.70 JAK2 (0.79) CDK2JAK2LRRK2AURKAIGF1R
SCHEMBL29816634 0.70 JAK2 (0.79) CDK2JAK2LRRK2AURKAIGF1R
SCHEMBL18434184 0.70 MAPT (0.55) CDK2JAK2LRRK2AURKAIGF1R
SCHEMBL14788080 0.70 PDGFRB (0.47) CDK2MAPK1MEN1KMT2AMAPT
SCHEMBL857880 0.69 AURKA (0.70) CDK2JAK2LRRK2AURKAPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321299-B1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-02-24 — — EP disclosed
US-8637549-B2 Pyridons as PDK1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 — — US disclosed
US-8637549-B2 Pyridons as PDK1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 — — US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 — — WO disclosed
WO-2010007116-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 — — 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-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS PDK2, PDK4, CCNH CDK2 142/4885JAK2 1124/4885LRRK2 703/4885
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS PDK1, PDK2, PDK4 CDK2 30/4885JAK2 635/4885LRRK2 618/4885

“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.

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