SCHEMBL12870909

SCHEMBL12870909

COC(=O)/C=C/c1ccc2nc(C3(NC(C)C)CCC3)n(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C8 P10632 1/20 0.41
TTR P02766 1/20 0.39
APP P05067 1/20 0.39
KDM4E B2RXH2 4/20 0.39
AKT1 P31749 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
JAK2 O60674 1/20 0.39
GAA P10253 1/20 0.39
HDAC1 Q13547 2/20 0.39
PTPN1 P18031 1/20 0.38
EPHX2 P34913 1/20 0.37
AKT2 P31751 3/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL12870488 0.90 HDAC1 (0.42) IP6K1IP6K3IP6K2CYP1A2CYP2C8
SCHEMBL973374 0.85 AKT1 (0.47) IP6K1IP6K3IP6K2CYP1A2CYP2C8
SCHEMBL973372 0.85 AKT1 (0.47) IP6K1IP6K3IP6K2CYP1A2CYP2C8
SCHEMBL12870947 0.82 HDAC1 (0.46) IP6K1IP6K3IP6K2ALDH1A1HTT
SCHEMBL12870922 0.81 CYP1A2 (0.35) CYP1A2CYP2C8HDAC1
SCHEMBL6448113 0.78 CYP1A2 (0.42) IP6K1IP6K3IP6K2CYP1A2CYP2C8
SCHEMBL974029 0.77 HDAC1 (0.47) IP6K1IP6K3IP6K2TTRAPP
SCHEMBL974028 0.77 HDAC1 (0.47) IP6K1IP6K3IP6K2TTRAPP
SCHEMBL12871013 0.77 HCRTR1 (0.36) APPKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL12870971 0.77 HCRTR1 (0.36) APPKDM4ESMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A IP6K1 3005/4885IP6K3 3341/4885IP6K2 3221/4885

“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.