SCHEMBL7001439

SCHEMBL7001439

CCCNc1cccc2c1c(-c1ccccc1)nn2C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.44
ABL1 P00519 4/20 0.44
VCP P55072 5/20 0.43
PSMC4 P43686 1/20 0.39
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
MERTK Q12866 2/20 0.35
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PLK4 O00444 1/20 0.33
RIPK2 O43353 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33

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
SCHEMBL6997527 0.90 SRC (0.46) SRCABL1VCPPSMC4ALDH1A1
SCHEMBL7000322 0.85 SRC (0.44) SRCABL1VCPPSMC4POLB
SCHEMBL7003995 0.84 SRC (0.43) SRCABL1VCPPSMC4ALDH1A1
SCHEMBL7001338 0.81 CCNA2 (0.45) SRCALDH1A1LMNAEGFR
SCHEMBL7003043 0.80 SRC (0.40) SRCABL1VCPPSMC4MERTK
SCHEMBL7005671 0.80 VCP (0.51) SRCABL1VCPPSMC4ALDH1A1
SCHEMBL7003901 0.79 SMN1; SMN2 (0.45) SRCABL1ALDH1A1MERTKMEN1
SCHEMBL6997961 0.78 VCP (0.48) SRCABL1VCPPSMC4ALDH1A1
SCHEMBL7001373 0.77 VCP (0.47) SRCABL1VCPPSMC4ALDH1A1
SCHEMBL7003186 0.76 KDM4E (0.48) SRCABL1VCPPSMC4ALDH1A1

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 4 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

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.