SCHEMBL4463894

SCHEMBL4463894

O=C(Nc1ccccc1)c1cc2cnc3[nH]ccc3c2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
KDM4E B2RXH2 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
DHPS P49366 4/20 0.46
EGFR P00533 3/20 0.46
AURKB Q96GD4 2/20 0.46
INCENP Q9NQS7 1/20 0.46
THRB P10828 1/20 0.45
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PTPN1 P18031 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL4474972 0.83 SLC22A12 (0.39) MAPTNPC1RAB9AKDM4ENPSR1
SCHEMBL13708161 0.83 JAK2 (0.46) MAPTNPC1RAB9AKDM4ENPSR1
SCHEMBL13708159 0.81 MAPT (0.53) MAPTNPC1RAB9AKDM4ENPSR1
SCHEMBL13711494 0.81 MAP3K20 (0.42) MAPTNPC1RAB9AKDM4ENPSR1
SCHEMBL13711491 0.81 MAP3K20 (0.42) MAPTNPC1RAB9AKDM4ENPSR1
SCHEMBL13708151 0.81 MAPT (0.52) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL13708162 0.81 ESR1 (0.52) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL4462963 0.78 ALDH1A1 (0.44) MAPTKDM4EALDH1A1
SCHEMBL13711477 0.76 BRAF (0.46) KMT2ASMN1; SMN2HTTEGFRPOLB
SCHEMBL13708164 0.76 LCK (0.58) MAPTKDM4EHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US claimed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US claimed
CN-101291938-A Compounds and compositions as protein kinase inhibitors IRM LLC THE SCRIPPS RES INST (BM) 2008-10-22 CN claimed
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US disclosed
CN-101291938-A Compounds and compositions as protein kinase inhibitors IRM LLC THE SCRIPPS RES INST (BM) 2008-10-22 CN disclosed
EP-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 EP disclosed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 WO disclosed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 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 (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-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors AURKC, PTK2B, FRK MAPT 1523/4885NPC1 3549/4885RAB9A 1435/4885

“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.