SCHEMBL3667596

SCHEMBL3667596

OCCCNCc1ccc(-c2c[c]cnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
CXCR4 P61073 1/20 0.37
LMNA P02545 1/20 0.36
CHRM2 P08172 4/20 0.34
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL3666063 0.92 SMN1; SMN2 (0.51) MEN1KMT2AHRH4HRH3SMN1; SMN2
SCHEMBL3664072 0.84 SCN8A (0.46) MEN1KMT2AKDM4EPOLBPDCD1
SCHEMBL3662196 0.81 S1PR1 (0.44) SMN1; SMN2S1PR2S1PR1S1PR3ALDH1A1
SCHEMBL27808239 0.80 GAA (0.35) MEN1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL3668234 0.78 FFAR1 (0.37) S1PR2S1PR1S1PR3ALDH1A1HDAC1
SCHEMBL3663742 0.77 ADRB2 (0.42) HRH4HRH3KDM4E
SCHEMBL3662222 0.77 MKNK1 (0.53)
SCHEMBL3666546 0.76 PRMT6 (0.48) SMN1; SMN2PDCD1CD274
SCHEMBL13778418 0.75 HRH4 (0.46) MEN1KMT2AHRH4HRH3SMN1; SMN2
SCHEMBL4167973 0.75 PPID (0.38) MEN1KMT2ASMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN 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

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 MEN1 2583/4885KMT2A 1867/4885HRH4 151/4885

“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.