SCHEMBL7003040

SCHEMBL7003040

CC(C)(C)n1nc(-c2ccccc2)c2c(C(N)C3CCCC3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.41
ABL1 P00519 5/20 0.41
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
VCP P55072 5/20 0.32
PSMC4 P43686 1/20 0.32
LCK P06239 3/20 0.31
LYN P07948 3/20 0.31
BTK Q06187 3/20 0.31
KDM4E B2RXH2 2/20 0.31
RIPK2 O43353 2/20 0.31
ALDH1A1 P00352 2/20 0.31
EGFR P00533 2/20 0.31
LMNA P02545 2/20 0.31
FYN P06241 2/20 0.31
YES1 P07947 2/20 0.31

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
SCHEMBL7000778 0.91 SRC (0.41) SRCABL1PDE4APDE4BPDE4C
SCHEMBL7002224 0.79 SRC (0.44) SRCABL1PDE4APDE4BPDE4C
SCHEMBL7003897 0.76 SRC (0.42) SRCABL1HPGDSMN1; SMN2VCP
SCHEMBL6998124 0.73 SRC (0.55) SRCABL1HPGDSMN1; SMN2VCP
SCHEMBL7003043 0.72 SRC (0.40) SRCABL1PDE4APDE4BPDE4C
SCHEMBL8347614 0.70 LMNA (0.42) SRCABL1SMN1; SMN2VCPPSMC4
SCHEMBL7835545 0.70 ALDH1A1 (0.47) HPGDSMN1; SMN2VCPPSMC4KDM4E
SCHEMBL7827356 0.70 ALDH1A1 (0.46) HPGDSMN1; SMN2VCPPSMC4KDM4E
SCHEMBL6997533 0.69 SRC (0.46) SRCABL1HPGDSMN1; SMN2VCP
SCHEMBL7003178 0.69 SRC (0.46) SRCABL1HPGDSMN1; SMN2VCP

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 18/4885PDE4A 4310/4885

“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.