SCHEMBL7000118

SCHEMBL7000118

Cn1nc(-c2ccccc2)c2c(NCc3ccccc3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.49
ADORA1 P30542 2/20 0.49
RXFP1 Q9HBX9 2/20 0.43
TP53 P04637 1/20 0.43
NAMPT P43490 2/20 0.43
BRD4 O60885 3/20 0.43
BRD9 Q9H8M2 2/20 0.43
KAT2B Q92831 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK13 O15264 1/20 0.40
EIF2AK2 P19525 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
PLK1 P53350 1/20 0.40
GRM2 Q14416 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
GRM5 P41594 1/20 0.39

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
SCHEMBL7000322 0.84 SRC (0.44) ADORA3ADORA1RXFP1TP53GAA
SCHEMBL7004205 0.80 POLB (0.42) RXFP1TP53BRD4GAAPOLB
SCHEMBL7003939 0.79 MAPK13 (0.40) NAMPTBRD4HSD17B10MAPK13EIF2AK2
SCHEMBL6995164 0.78 MAPK13 (0.43) TP53NAMPTBRD4BRD9KAT2B
SCHEMBL7001239 0.77 MAPK13 (0.43) NAMPTBRD4GAAPOLBHSD17B10
SCHEMBL7002540 0.76 MAPK13 (0.42) NAMPTBRD4HSD17B10MAPK13EIF2AK2
SCHEMBL7006143 0.74 MAPK13 (0.47) BRD4GAAPOLBHSD17B10MAPK13
SCHEMBL6999852 0.73 MAPT (0.43) ADORA3ADORA1RXFP1TP53BRD4
SCHEMBL7001980 0.72 MAPT (0.46) ADORA3ADORA1RXFP1TP53GAA
SCHEMBL7001338 0.72 CCNA2 (0.45)

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 ADORA3 4644/4885ADORA1 4810/4885RXFP1 4838/4885

“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.