SCHEMBL7003897

SCHEMBL7003897

CC(C)(C)n1nc(-c2ccccc2)c2c(C(N)c3ccco3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.42
ABL1 P00519 5/20 0.42
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
VCP P55072 5/20 0.33
PSMC4 P43686 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RIPK2 O43353 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
EGFR P00533 2/20 0.32
LMNA P02545 2/20 0.32
LCK P06239 2/20 0.32
FYN P06241 2/20 0.32
YES1 P07947 2/20 0.32
LYN P07948 2/20 0.32

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
SCHEMBL7002224 0.80 SRC (0.44) SRCABL1HPGDSMN1; SMN2VCP
SCHEMBL7003040 0.76 SRC (0.41) SRCABL1HPGDSMN1; SMN2VCP
SCHEMBL6998124 0.74 SRC (0.55) SRCABL1HPGDSMN1; SMN2VCP
SCHEMBL7003901 0.72 SMN1; SMN2 (0.45) SRCABL1HPGDSMN1; SMN2MEN1
SCHEMBL7003178 0.69 SRC (0.46) SRCABL1HPGDSMN1; SMN2VCP
SCHEMBL6997533 0.69 SRC (0.46) SRCABL1HPGDSMN1; SMN2VCP
SCHEMBL7001441 0.68 SRC (0.44) SRCABL1HPGDSMN1; SMN2VCP
SCHEMBL7000778 0.68 SRC (0.41) SRCABL1HPGDSMN1; SMN2RIPK2
SCHEMBL6997527 0.67 SRC (0.46) SRCABL1HPGDSMN1; SMN2VCP
SCHEMBL7003995 0.67 SRC (0.43) SRCABL1HPGDVCPPSMC4

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 18/4885HPGD 4780/4885

“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.