SCHEMBL3667583

SCHEMBL3667583

COc1ccccc1-c1c[c]cnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.43
METAP2 P50579 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTR7 P34969 1/20 0.41
XDH P47989 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
APP P05067 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 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
SCHEMBL3732177 0.77 NPC1 (0.39) ALDH1A1KDM4EGAAMETAP2SMN1; SMN2
SCHEMBL5924656 0.77 HTR7 (0.50) PDGFRBPDGFRAALDH1A1LMNAKDM4E
SCHEMBL6754272 0.77 CYP1A2 (0.54) PDGFRBPDGFRAALDH1A1LMNAKDM4E
SCHEMBL2182847 0.74 HTR7 (0.47) PDGFRBPDGFRAALDH1A1LMNAKDM4E
SCHEMBL8137336 0.74 POLB (0.64) PDGFRBPDGFRAALDH1A1GAAPOLB
SCHEMBL28101882 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EGAASMN1; SMN2CYP3A4
SCHEMBL4167128 0.74 CYP2A6 (0.47) ALDH1A1LMNAPOLBSMN1; SMN2CYP1A2
SCHEMBL1316802 0.74 CYP11B1 (0.44) ALDH1A1KDM4EGAASMN1; SMN2TDP1
SCHEMBL28788981 0.72 FYN (0.59) PDGFRBPDGFRAALDH1A1LMNAKDM4E
SCHEMBL1896467 0.72 PDGFRB (0.49) PDGFRBPDGFRAALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101146817-B Novel compounds derived from 5-thioxylose and therapeutic use thereof FOURNIER LAB SA 2011-08-17 CN disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
CN-101146817-A Novel compounds derived from 5-thioxylose and therapeutic use thereof FOURNIER LAB SA (FR) 2008-03-19 CN 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 PDGFRB 221/4885PDGFRA 100/4885ALDH1A1 889/4885

“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.