SCHEMBL1590850

SCHEMBL1590850

O=C(c1ccc(Nc2nc(Nc3cnc4ccccc4c3)nc3c2ncn3-c2ccccc2)cc1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TNKS O95271 2/20 0.44
IKBKB O14920 2/20 0.43
CHUK O15111 2/20 0.43
IKBKG Q9Y6K9 2/20 0.43
BTK Q06187 2/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
BLK P51451 1/20 0.42
ITK Q08881 1/20 0.42
GRM5 P41594 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
CSF1R P07333 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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 0.81 NPC1 (0.50) HPGDNPC1TNKSGRM5CDK2
SCHEMBL1590820 0.79 PDGFRA (0.58) SRCCCNE1CDK2
SCHEMBL12727080 0.79 PDGFRA (0.58) SRCCCNE1CDK2
SCHEMBL4565980 0.77 HPGD (0.44) HPGDTNKSIKBKBCHUKIKBKG
SCHEMBL3591847 0.76 GRM5 (0.49) HPGDNPC1RAB9ASMN1; SMN2GRM5
SCHEMBL3585775 0.73 CDK1 (0.54) SRCCCNT1CCNE1CDK2CDK9
SCHEMBL1590837 0.72 MCHR1 (0.41) HPGDTNKSIKBKBCHUKIKBKG
SCHEMBL3599315 0.71 HPGD (0.39) HPGDTNKSIKBKBCHUKIKBKG
SCHEMBL3599400 0.70 FLT3 (0.48) HPGDIKBKBCHUKIKBKGSRC
SCHEMBL1591420 0.69 FLT3 (0.56) SRCCCNE1CDK2

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 9 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
EP-1656378-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF RECEPTOR TYROSINE KINASE ACTIVITY IRM LLC (BM) 2006-05-17 EP disclosed
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity IRM LLC (BM) 2005-06-09 US disclosed
WO-2005016528-A2 6-SUBSTITUTED ANILINO PURINES AS RTK INHIBITORS IRM LLC (BM) 2005-02-24 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 (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 HPGD 4557/4885KDM4E 1534/4885NPC1 3621/4885
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK HPGD 1771/4885KDM4E 1357/4885NPC1 2011/4885
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity BMX, LCK, FYN HPGD 4557/4885KDM4E 1534/4885NPC1 3621/4885

“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.