SCHEMBL3733653

SCHEMBL3733653

CN1CCN(Cc2ccc(-c3c[c]cnc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHKA P35790 12/20 0.57
LMNA P02545 1/20 0.49
MC4R P32245 1/20 0.47
LSS P48449 1/20 0.46
TGFBR1 P36897 1/20 0.45
ACVR1 Q04771 1/20 0.45
CA2 P00918 1/20 0.44
NCF1 P14598 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
TNIK Q9UKE5 2/20 0.43
ALDH1A1 P00352 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
SCHEMBL4157109 0.85 PARP1 (0.44) CHKALSSACVR1
SCHEMBL3725925 0.84 MC4R (0.47) CHKAMC4R
SCHEMBL4161690 0.83 HRH3 (0.64) LMNALSSPRMT6ALDH1A1
SCHEMBL3728567 0.78 CHEK1 (0.52) CHKATGFBR1ACVR1ALDH1A1
SCHEMBL3725982 0.78 HRH3 (0.42) LSSALDH1A1
SCHEMBL13815493 0.77 CLK2 (0.41) LSS
SCHEMBL3140527 0.77 CHKA (0.70) CHKALMNAMC4RCA2NCF1
SCHEMBL3142344 0.77 CHKA (0.62) CHKALMNAMC4RCA2NCF1
SCHEMBL4161695 0.76 HDAC1 (0.45)
SCHEMBL11992681 0.76 CHKA (0.59) CHKALMNAMC4RLSSTGFBR1

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
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
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
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US 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 CHKA 3977/4885LMNA 2708/4885MC4R 303/4885

“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.