SCHEMBL1504418

SCHEMBL1504418

Nc1cnnc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
PRKCI P41743 3/20 0.35
AXL P30530 2/20 0.35
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
JAK2 O60674 1/20 0.34
PARP1 P09874 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKT2 P31751 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
KIT P10721 1/20 0.33
GSK3B P49841 1/20 0.33
JAK3 P52333 2/20 0.33
TTBK1 Q5TCY1 1/20 0.33
TTBK2 Q6IQ55 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32

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
SCHEMBL1504261 0.78 ALDH1A1 (0.43) DYRK1APRKCIMKNK1MKNK2JAK2
SCHEMBL12472076 0.78 ALDH1A1 (0.43) DYRK1APRKCIMKNK1MKNK2JAK2
SCHEMBL9918719 0.75 PRKCI (0.47) DYRK1APRKCIAXLJAK2ADORA2A
SCHEMBL1504315 0.75 PRKCI (0.35) DYRK1APRKCIAXLJAK2PARP1
SCHEMBL1504325 0.75 PRKCI (0.52) DYRK1APRKCIAXLJAK2ADORA2A
SCHEMBL30678619 0.75 PRKCI (0.52) DYRK1APRKCIAXLJAK2ADORA2A
SCHEMBL1504285 0.75 PRKCI (0.52) DYRK1APRKCIAXLJAK2PARP1
SCHEMBL12832723 0.72 PRKCI (0.37) PRKCIAXLMKNK1MKNK2ADORA2A
SCHEMBL17545820 0.71 PRKCI (0.36) PRKCIAXLJAK2ADORA2AADORA1
SCHEMBL31466647 0.69 NUDT1 (0.38) DYRK1AJAK2GSK3BJAK3TTBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 US disclosed
CN-102574863-A Heterocyclic compounds as JANUS kinase inhibitors BIOCRYST PHARM INC 2012-07-11 CN disclosed
EP-2470537-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-07-04 EP disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 DYRK1A 2775/4885PRKCI 156/4885AXL 724/4885
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 DYRK1A 260/4885PRKCI 376/4885AXL 776/4885

“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.