SCHEMBL2614845

SCHEMBL2614845

N#Cc1c(N)nc(N2CCOCC2)c2c1CCCC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.66
HTT P42858 7/20 0.66
NPSR1 Q6W5P4 4/20 0.66
TSHR P16473 3/20 0.64
MAPK1 P28482 3/20 0.64
HSD17B10 Q99714 3/20 0.64
KDM4E B2RXH2 12/20 0.62
LMNA P02545 5/20 0.62
MAPT P10636 2/20 0.59
HPGD P15428 6/20 0.59
ATM Q13315 2/20 0.59
POLB P06746 1/20 0.59
ADORA2A P29274 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CTSK P43235 2/20 0.51
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL1320500 0.83 ALDH1A1 (0.66) ALDH1A1HTTNPSR1TSHRMAPK1
SCHEMBL13829597 0.76 ADORA2A (0.59) ALDH1A1HTTNPSR1TSHRMAPK1
SCHEMBL17344002 0.74 ALDH1A1 (1.00) ALDH1A1HTTNPSR1TSHRMAPK1
SCHEMBL15923922 0.74 ALDH1A1 (1.00) ALDH1A1HTTNPSR1TSHRMAPK1
SCHEMBL19805083 0.73 KDM4E (0.80) ALDH1A1HTTNPSR1TSHRMAPK1
SCHEMBL8272436 0.73 ALDH1A1 (0.51) ALDH1A1HTTNPSR1TSHRMAPK1
SCHEMBL30656153 0.72 ALDH1A1 (0.58) ALDH1A1HTTNPSR1TSHRMAPK1
SCHEMBL6255135 0.70 ALDH1A1 (1.00) ALDH1A1HTTNPSR1TSHRMAPK1
SCHEMBL16222615 0.69 ALDH1A1 (0.50) ALDH1A1HTTNPSR1TSHRMAPK1
SCHEMBL6255063 0.68 KDM4E (0.64) ALDH1A1HTTTSHRHSD17B10KDM4E

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-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha CURACYTE DISCOVERY GMBH (DE) 2012-04-19 US disclosed
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha CURACYTE DISCOVERY GMBH (DE) 2012-04-19 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-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha PDE4A, PDE4B, PDE3B ALDH1A1 445/4885HTT 4848/4885NPSR1 1317/4885

“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.