SCHEMBL7003043

SCHEMBL7003043

CC(C)(C)n1nc(-c2ccccc2)c2c(NCC3CCCC3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.40
ABL1 P00519 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
VCP P55072 4/20 0.38
UTS2R Q9UKP6 1/20 0.38
HIF1A Q16665 1/20 0.37
BRD4 O60885 1/20 0.36
PSMC4 P43686 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
WNK1 Q9H4A3 1/20 0.34
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CKS1B P61024 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
SCHEMBL7000781 0.91 SRC (0.41) SRCABL1PDE4APDE4BPDE4C
SCHEMBL8237265 0.83 UTS2R (0.45) SRCABL1PDE4APDE4BPDE4C
SCHEMBL6997527 0.82 SRC (0.46) SRCABL1PDE4APDE4BPDE4C
SCHEMBL7001439 0.80 SRC (0.44) SRCABL1VCPPSMC4MEN1
SCHEMBL7000322 0.80 SRC (0.44) SRCABL1PDE4APDE4BPDE4C
SCHEMBL7003995 0.79 SRC (0.43) SRCABL1VCPPSMC4
SCHEMBL5063566 0.78 VCP (0.58) SRCABL1VCPHIF1APSMC4
SCHEMBL7835545 0.78 ALDH1A1 (0.47) ADORA3VCPPSMC4RXFP1
SCHEMBL7827356 0.78 ALDH1A1 (0.46) VCPPSMC4RXFP1
SCHEMBL7003901 0.75 SMN1; SMN2 (0.45) SRCABL1MEN1KMT2AMERTK

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.