SCHEMBL7002540

SCHEMBL7002540

CCC(C)Nc1cccc2c1c(-c1ccccc1)nn2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.42
EIF2AK2 P19525 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
RECQL P46063 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
BRD4 O60885 1/20 0.38
GRM5 P41594 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
CASP7 P55210 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL7001239 0.88 MAPK13 (0.43) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL6998205 0.86 CCNA2 (0.43) MEN1KMT2AMAPTALDH1A1
SCHEMBL7003939 0.82 MAPK13 (0.40) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL7004205 0.78 POLB (0.42) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL6995164 0.76 MAPK13 (0.43) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL7000118 0.76 ADORA3 (0.49) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL7003413 0.75 CCNA2 (0.42) MEN1KMT2AMAPTMAPK1HSD17B10
SCHEMBL7002725 0.74 CCNA2 (0.44) MEN1KMT2AMAPTALDH1A1
SCHEMBL6999480 0.73 ALDH1A1 (0.41) MEN1KMT2ALMNAMAPTHTT
SCHEMBL6993931 0.73 PDE4A (0.41) MEN1KMT2AALDH1A1PDE4APDE4B

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 MAPK13 958/4885EIF2AK2 2983/4885MAPK12 1253/4885

“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.