SCHEMBL3728567

SCHEMBL3728567

CN1CCN(c2ccc(-c3c[c]cnc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.52
MELK Q14680 1/20 0.48
MAPT P10636 3/20 0.45
ADRA2C P18825 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
PTK2B Q14289 1/20 0.45
ESR2 Q92731 1/20 0.45
ADRA2A P08913 1/20 0.43
CHKA P35790 1/20 0.43
NPM1 P06748 1/20 0.43
ALK Q9UM73 1/20 0.43
FYN P06241 1/20 0.43
JAK2 O60674 1/20 0.43
NPC1 O15118 1/20 0.43
XBP1 P17861 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3730742 0.84 CHKA (0.43) CHEK1MAPTKDM4EALDH1A1GAA
SCHEMBL3724764 0.84 HRH3 (0.49) CHEK1MAPTKDM4EALDH1A1ALK
SCHEMBL3729792 0.83 MAPK10 (0.42) CHEK1MAPTKDM4EALDH1A1GAA
SCHEMBL3722313 0.80 ADRA2C (0.40) CHEK1MELKMAPTADRA2CKDM4E
SCHEMBL3733653 0.78 CHKA (0.57) ALDH1A1CHKATGFBR1ACVR1
SCHEMBL28337260 0.75 MELK (0.69) CHEK1MELKMAPTADRA2CKDM4E
SCHEMBL10673891 0.75 ALDH1A1 (0.55) CHEK1MELKMAPTADRA2CKDM4E
SCHEMBL12525669 0.75 CYP1A2 (0.56) CHEK1MELKKDM4EALDH1A1KMT2A
SCHEMBL11992481 0.74 CHEK1 (0.64) CHEK1MELKMAPTADRA2CKDM4E
SCHEMBL27669646 0.73 MAPT (0.49) CHEK1MELKMAPTADRA2CKDM4E

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 CHEK1 2632/4885MELK 3652/4885MAPT 1924/4885

“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.