SCHEMBL3665735

SCHEMBL3665735

CN1CCN(Cc2cccc(-c3cncc(Br)c3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 3/20 0.48
MC4R P32245 1/20 0.48
KDR P35968 2/20 0.47
AOC3 Q16853 1/20 0.46
CHRM3 P20309 2/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
PARP1 P09874 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
CHKA P35790 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
SCHEMBL11992810 0.86 NMT1 (0.49) NMT1MC4RKDRAOC3CHRM3
SCHEMBL3721452 0.85 CNR1 (0.60) CNR1CNR2GSK3BDYRK1APARP1
SCHEMBL7679008 0.80 DRD2 (0.61) MC4RKDRGSK3BDYRK1ADRD2
SCHEMBL21495134 0.79 MC4R (0.71) NMT1MC4RKDRCHRM3DRD2
SCHEMBL29933818 0.79 MC4R (0.47) MC4RGSK3BDYRK1ASMN1; SMN2TDP1
SCHEMBL112800 0.79 MC4R (0.47) MC4RGSK3BDYRK1ASMN1; SMN2TDP1
SCHEMBL3725925 0.79 MC4R (0.47) NMT1MC4RKDRAOC3CHRM3
SCHEMBL1367503 0.77 SMN1; SMN2 (0.70) MC4RSMN1; SMN2TDP1CHKA
SCHEMBL4156485 0.77 KDR (0.41) NMT1MC4RKDRAOC3CHRM3
SCHEMBL24061116 0.76 MC4R (0.57) NMT1MC4RKDRCHRM3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NMT1 3128/4885MC4R 303/4885KDR 124/4885

“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.