SCHEMBL8320710

SCHEMBL8320710

COc1ccc2c(c1)C1(CCN(C)CC1)C(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.49
PDE7A Q13946 1/20 0.48
OTUD7B Q6GQQ9 1/20 0.47
PLK4 O00444 2/20 0.44
FLT3 P36888 2/20 0.44
GHSR Q92847 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
PGR P06401 2/20 0.42
KDR P35968 1/20 0.42
AURKB Q96GD4 1/20 0.42
HTR7 P34969 1/20 0.41
IP6K1 Q92551 2/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL29541573 0.92 AKR1B1 (0.47) AKR1B1PDE7AOTUD7BPLK4FLT3
SCHEMBL28578842 0.88 PDE7A (0.55) AKR1B1PDE7AOTUD7BPLK4PDE3B
SCHEMBL29487409 0.88 PDE7A (0.55) AKR1B1PDE7AOTUD7BPLK4PDE3B
SCHEMBL4263461 0.84 IP6K1 (0.51) AKR1B1PDE7AOTUD7BGHSRPDE3B
SCHEMBL4263460 0.84 IP6K1 (0.51) AKR1B1PDE7AOTUD7BGHSRPDE3B
SCHEMBL4717250 0.84 PDE7A (0.62) AKR1B1PDE7APDE3BPDE3APGR
SCHEMBL23778428 0.83 PDE7A (0.50) AKR1B1PDE7AOTUD7BPLK4PDE3B
SCHEMBL4263093 0.83 PDE7A (0.50) AKR1B1PDE7AOTUD7BPLK4PDE3B
SCHEMBL23799162 0.82 FLT3 (0.42) AKR1B1PDE7AOTUD7BPLK4FLT3
SCHEMBL4273856 0.81 SIGMAR1 (0.58) DRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186889-A1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES IRIE OSAMU 2009-07-23 US disclosed
US-20090186889-A1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES IRIE OSAMU 2009-07-23 US disclosed
US-7531546-B2 Spiro-substituted pyrrolo[2,3-D]pyrimidines as cathepsin inhibitors NOVARTIS AG (CH) 2009-05-12 US disclosed
US-7531546-B2 Spiro-substituted pyrrolo[2,3-D]pyrimidines as cathepsin inhibitors NOVARTIS AG (CH) 2009-05-12 US disclosed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
WO-2004076455-A1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES NOVARTIS AG (CH) 2004-09-10 WO disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 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-20090186889-A1 SPIRO-SUBSTITUTED PYRROLOPYRIMIDINES CTSS, CTSK, CTSZ AKR1B1 983/4885PDE7A 2493/4885OTUD7B 2549/4885

“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.