SCHEMBL1590837

SCHEMBL1590837

CN(C)C1CCN(c2nc(Nc3ccc(C(=O)N4CCCCC4)cc3)c3ncn(-c4ccccc4)c3n2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
IKBKG Q9Y6K9 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3C2B O00750 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
BTK Q06187 5/20 0.40
HPGD P15428 1/20 0.40
EGFR P00533 4/20 0.40
LCK P06239 1/20 0.40
JAK3 P52333 1/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
TNKS O95271 1/20 0.39

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
SCHEMBL4565980 0.80 HPGD (0.44) IKBKBCHUKIKBKGPIK3CGHPGD
SCHEMBL1590863 0.79 NPC1 (0.50) HPGDTNKS
SCHEMBL3593217 0.79 FLT3 (0.57) CSNK1DCSNK1E
SCHEMBL3582794 0.78 CSNK1D (0.44) BTKEGFRJAK3CSNK1DCSNK1E
SCHEMBL1590820 0.76 PDGFRA (0.58)
SCHEMBL12727080 0.76 PDGFRA (0.58)
SCHEMBL1590850 0.72 HPGD (0.46) IKBKBCHUKIKBKGBTKHPGD
SCHEMBL3599315 0.71 HPGD (0.39) IKBKBCHUKIKBKGBTKHPGD
SCHEMBL3597523 0.70 CSNK1D (0.48) BTKCSNK1DCSNK1E
SCHEMBL3598513 0.70 CDK2 (0.45) BTKCSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity IRM LLC (BM) 2005-06-09 US 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 (3 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-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity BMX, LCK, FYN MCHR1 2695/4885IKBKB 537/4885CHUK 150/4885
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK MCHR1 3926/4885IKBKB 925/4885CHUK 411/4885
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity BMX, LCK, FYN MCHR1 2695/4885IKBKB 537/4885CHUK 150/4885

“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.