SCHEMBL6997527

SCHEMBL6997527

CCNc1cccc2c1c(-c1ccccc1)nn2C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.46
ABL1 P00519 5/20 0.46
VCP P55072 5/20 0.42
PSMC4 P43686 1/20 0.40
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
RIPK2 O43353 2/20 0.34
EGFR P00533 2/20 0.34
LMNA P02545 2/20 0.34
LCK P06239 2/20 0.34
FYN P06241 2/20 0.34
YES1 P07947 2/20 0.34
LYN P07948 2/20 0.34
PDGFRA P16234 2/20 0.34
PRKACA P17612 2/20 0.34
KDR P35968 2/20 0.34

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
SCHEMBL7001439 0.90 SRC (0.44) SRCABL1VCPPSMC4HPGD
SCHEMBL7000322 0.87 SRC (0.44) SRCABL1VCPPSMC4SMN1; SMN2
SCHEMBL7003995 0.86 SRC (0.43) SRCABL1VCPPSMC4HPGD
SCHEMBL7003043 0.82 SRC (0.40) SRCABL1VCPPSMC4PDE4A
SCHEMBL7005671 0.82 VCP (0.51) SRCABL1VCPPSMC4HPGD
SCHEMBL7003901 0.81 SMN1; SMN2 (0.45) SRCABL1HPGDSMN1; SMN2ALDH1A1
SCHEMBL6997961 0.80 VCP (0.48) SRCABL1VCPPSMC4HPGD
SCHEMBL7001373 0.79 VCP (0.47) SRCABL1VCPPSMC4HPGD
SCHEMBL7003186 0.78 KDM4E (0.48) SRCABL1VCPPSMC4HPGD
SCHEMBL7002603 0.77 VCP (0.49) SRCABL1VCPPSMC4HPGD

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 SRC 1/4885ABL1 18/4885VCP 710/4885

“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.