SCHEMBL1822750

SCHEMBL1822750

CC(=O)Nc1cccc(Nc2cc(-n3ccnc3Nc3ccccc3Cl)ncn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.55
▸ AURKB Q96GD4 1/20 0.55
▸ SCN9A Q15858 1/20 0.52
▸ HCK P08631 4/20 0.50
▸ BTK Q06187 3/20 0.47
▸ KDR P35968 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CDK5 Q00535 1/20 0.41

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
SCHEMBL1825377 0.83 HCK (0.50) AURKAAURKBSCN9AHCKBTK
SCHEMBL1822431 0.83 HCK (0.49) AURKAAURKBHCKBTKKDR
SCHEMBL3236509 0.81 HCK (0.52) HCKBTKKDRLMNACCNA2
SCHEMBL1818088 0.79 HCK (0.55) HCKBTKKDRLMNACDK2
SCHEMBL3234773 0.77 HCK (0.49) HCKBTKKDRLMNAALDH1A1
SCHEMBL1827382 0.74 HCK (0.47) HCKBTKKDRABL1CDK2
SCHEMBL1827093 0.74 LCK (0.55) AURKAAURKBHCKBTKABL1
SCHEMBL1826539 0.70 HCK (0.47) AURKAAURKBHCKBTKKDR
SCHEMBL1826791 0.70 HCK (0.46) HCKBTKKDRPDGFRBSRC
SCHEMBL13777938 0.70 EGFR (0.66) AURKAAURKBMAPK14CDK9JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 — — EP claimed
JP-4688876-B2 — — 2011-05-25 — — JP claimed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US claimed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 — — US claimed
EP-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 — — EP claimed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 — — WO claimed
US-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 — — US disclosed
WO-2014172616-A2 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-23 — — WO disclosed
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 — — EP disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US disclosed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 — — US disclosed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 — — US disclosed
EP-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 — — EP disclosed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 — — 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-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS SMN1; SMN2, SOD1, NEFM AURKA 4303/4885AURKB 4128/4885SCN9A 992/4885
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, PTK2B, SRC AURKA 482/4885AURKB 489/4885SCN9A 1128/4885

“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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