SCHEMBL4565980

SCHEMBL4565980

O=C(c1ccc(Nc2nc(-n3ccnc3)nc3c2ncn3-c2ccccc2)cc1)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
TNKS O95271 4/20 0.43
GRM5 P41594 1/20 0.42
ABL1 P00519 1/20 0.41
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
IKBKG Q9Y6K9 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LSS P48449 1/20 0.38

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
SCHEMBL1590863 0.84 NPC1 (0.50) HPGDTNKSGRM5TSHRCYP2D6
SCHEMBL1590837 0.80 MCHR1 (0.41) HPGDTNKSIKBKBCHUKIKBKG
SCHEMBL1590820 0.77 PDGFRA (0.58)
SCHEMBL12727080 0.77 PDGFRA (0.58)
SCHEMBL1590850 0.77 HPGD (0.46) HPGDTNKSGRM5IKBKBCHUK
SCHEMBL3599315 0.73 HPGD (0.39) HPGDTNKSGRM5MAPTIKBKB
SCHEMBL3585775 0.69 CDK1 (0.54)
SCHEMBL3591847 0.69 GRM5 (0.49) HPGDGRM5KMT2AMEN1ALDH1A1
SCHEMBL23468403 0.68 FLT3 (0.55)
SCHEMBL1591420 0.67 FLT3 (0.56)

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 5 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-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
EP-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 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-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK HPGD 1771/4885TNKS 283/4885GRM5 1751/4885
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity BMX, LCK, FYN HPGD 4557/4885TNKS 782/4885GRM5 857/4885

“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.