SCHEMBL3724764

SCHEMBL3724764

CC(C)N1CCN(c2ccc(-c3c[c]cnc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
TGFBR1 P36897 3/20 0.45
ACVR1 Q04771 3/20 0.45
KCNH2 Q12809 1/20 0.45
FYN P06241 3/20 0.41
ALK Q9UM73 2/20 0.38
KDM5B Q9UGL1 1/20 0.38
CHEK1 O14757 1/20 0.38
SYK P43405 1/20 0.38
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
ACVR1B P36896 1/20 0.37
ACVRL1 P37023 1/20 0.37
TNIK Q9UKE5 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL3728567 0.84 CHEK1 (0.52) KDM4EALDH1A1MAPTTGFBR1ACVR1
SCHEMBL3730742 0.81 CHKA (0.43) KDM4EALDH1A1MAPTCHEK1
SCHEMBL4157109 0.80 PARP1 (0.44) HRH3ACVR1
SCHEMBL3729792 0.80 MAPK10 (0.42) KDM4EALDH1A1MAPTTGFBR1ACVR1
SCHEMBL13778275 0.76 TGFBR1 (0.54) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL24504282 0.72 KDM4E (0.61) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL3727666 0.71 KDM4E (0.48) HRH3KDM4EALDH1A1
SCHEMBL188731 0.70 KDM4E (0.61) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL4715499 0.70 KDM4E (0.61) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL12878766 0.70 KDM4E (0.53) HRH3KDM4EALDH1A1MAPTPKM

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 10 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
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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 (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 HRH3 977/4885KDM4E 448/4885ALDH1A1 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.