SCHEMBL7004205

SCHEMBL7004205

CC(C)CCNc1cccc2c1c(-c1ccccc1)nn2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
NQO1 P15559 1/20 0.42
NQO2 P16083 1/20 0.42
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK13 O15264 1/20 0.41
EIF2AK2 P19525 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
TP53 P04637 1/20 0.38
RECQL P46063 2/20 0.37
BRD4 O60885 1/20 0.37
GRM5 P41594 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
SCHEMBL7003939 0.81 MAPK13 (0.40) MAPTHTTKDM4EALDH1A1MAPK13
SCHEMBL7000118 0.80 ADORA3 (0.49) POLBMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL7002540 0.78 MAPK13 (0.42) MAPTHTTKDM4EALDH1A1LMNA
SCHEMBL7001239 0.76 MAPK13 (0.43) POLBMAPTHTTKDM4EALDH1A1
SCHEMBL6995164 0.75 MAPK13 (0.43) MAPTHTTKDM4EALDH1A1LMNA
SCHEMBL7003995 0.72 SRC (0.43) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL7001338 0.72 CCNA2 (0.45) MAPTALDH1A1LMNA
SCHEMBL7006143 0.71 MAPK13 (0.47) POLBMAPTHTTKDM4EALDH1A1
SCHEMBL7001439 0.71 SRC (0.44) POLBHTTKDM4EALDH1A1LMNA
SCHEMBL6999852 0.70 MAPT (0.43) MAPTKDM4EALDH1A1MAPK13EIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140938-B1 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF UNIV PRINCETON (US) 2003-08-27 EP disclosed
EP-1321467-A2 High affinity inhibitors for target validation and uses thereof Princeton University (US) 2003-06-25 EP disclosed
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof PRINCETON UNIVERSITY 2003-04-17 US disclosed
US-6383790-B1 PYRAZOLO(3,4-D)PYRIMIDINE BASED COMPOUND; ANTICARCINOGENIC AGENTS; ANTITUMOR AGENTS PRINCETON UNIVERSITY 2002-05-07 US disclosed
EP-1140938-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF Princeton University (US) 2001-10-10 EP disclosed
WO-2000042042-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF PRINCETON UNIVERSITY (US) 2000-07-20 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-20030073218-A1 High affinity inhibitors for target validation and uses thereof SRC, MARCKS, TEC POLB 4117/4885NQO1 4394/4885NQO2 2645/4885

“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.