SCHEMBL12719902

SCHEMBL12719902

CN(C)c1ncc2c(n1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
HSP90AA1 P07900 1/20 0.47
TLR9 Q9NR96 2/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
ESR2 Q92731 1/20 0.43
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
NR1H2 P55055 1/20 0.42
GPR119 Q8TDV5 5/20 0.41
POLB P06746 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL803600 0.92 MAPT (0.63) MAPTHSP90AA1TLR9CCNA2CDK2
SCHEMBL12719901 0.83 MAPT (0.47) MAPTTLR9CKS1BSKP1SKP2
SCHEMBL18818608 0.82 DDB1 (0.53) MAPTHSP90AA1TLR9CCNA2CDK2
SCHEMBL4198464 0.79 NR1H2 (0.51) MAPTESR2CKS1BSKP1SKP2
SCHEMBL21041390 0.78 MAPT (0.50) MAPTCCNA2CDK2ESR2CKS1B
SCHEMBL21041388 0.78 MAPT (0.50) MAPTCCNA2CDK2ESR2CKS1B
SCHEMBL21041387 0.77 MAPT (0.49) MAPTHSP90AA1CCNA2CDK2ESR2
SCHEMBL1623136 0.77 MAPT (0.52) MAPTESR2CKS1BSKP1SKP2
SCHEMBL15883220 0.77 MAPT (0.56) MAPTHSP90AA1ESR2CKS1BSKP1
SCHEMBL21041623 0.76 MAPT (0.48) MAPTCCNA2CDK2ESR2CKS1B

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-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 US disclosed
WO-2008117169-A1 PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS PFIZER LIMITED (GB) 2008-10-02 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-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists HTR2C, HTR2A, HTR5A MAPT 4054/4885HSP90AA1 3431/4885TLR9 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.