SCHEMBL6995074

SCHEMBL6995074

CC(C)C(=O)Nc1cccc2c1c(-c1ccccc1)nn2C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.46
PSMC4 P43686 1/20 0.46
SRC P12931 2/20 0.42
ABL1 P00519 1/20 0.42
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CETP P11597 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
NOS1 P29475 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6997961 0.87 VCP (0.48) VCPPSMC4SRCABL1KDM4E
SCHEMBL7001373 0.86 VCP (0.47) VCPPSMC4SRCABL1ADORA1
SCHEMBL7003186 0.85 KDM4E (0.48) VCPPSMC4SRCABL1ADORA1
SCHEMBL7005671 0.84 VCP (0.51) VCPPSMC4SRCABL1TP53
SCHEMBL7003800 0.83 MAPT (0.45) VCPPSMC4TP53KDM4EKMT2A
SCHEMBL7002603 0.82 VCP (0.49) VCPPSMC4SRCABL1ADORA1
SCHEMBL6999715 0.81 NR1H4 (0.49) VCPPSMC4L3MBTL1KDM4EKMT2A
SCHEMBL7835545 0.80 ALDH1A1 (0.47) VCPPSMC4ADORA1ADORA2ACETP
SCHEMBL7827356 0.79 ALDH1A1 (0.46) VCPPSMC4ADORA1ADORA2ACETP
SCHEMBL7003995 0.79 SRC (0.43) VCPPSMC4SRCABL1KDM4E

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 VCP 710/4885PSMC4 3179/4885SRC 1/4885

“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.