SCHEMBL12376780

SCHEMBL12376780

CC(C)(C)c1cnc2n(c1=O)CCN2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
P2RX7 Q99572 1/20 0.34
POLB P06746 1/20 0.33
MAPK10 P53779 1/20 0.33
LRRK2 Q5S007 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL14459758 0.79 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10P2RX7
SCHEMBL25909777 0.78 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10P2RX7
SCHEMBL10183113 0.76 KDM4E (0.32) KDM4EALDH1A1HPGDHSD17B10P2RX7
SCHEMBL25915782 0.75 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10P2RX7
SCHEMBL22102661 0.70
SCHEMBL15113582 0.68 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL25915799 0.68 MAPK1 (0.43) KDM4EALDH1A1HPGDPOLB
SCHEMBL25909778 0.67 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10183041 0.66 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL25913034 0.66 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC KDM4E 3968/4885ALDH1A1 1635/4885HPGD 1640/4885

“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.