SCHEMBL7002603

SCHEMBL7002603

CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)Cc3ccccc3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.49
HPGD P15428 2/20 0.46
PSMC4 P43686 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR1H4 Q96RI1 4/20 0.41
PPARG P37231 1/20 0.41
KCNQ2 O43526 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL7005671 0.89 VCP (0.51) VCPHPGDPSMC4ALDH1A1KDM4E
SCHEMBL6997961 0.85 VCP (0.48) VCPHPGDPSMC4ALDH1A1GAA
SCHEMBL7003186 0.83 KDM4E (0.48) VCPHPGDPSMC4ALDH1A1KDM4E
SCHEMBL6995074 0.82 VCP (0.46) VCPPSMC4ALDH1A1KDM4EKMT2A
SCHEMBL7004924 0.81 VCP (0.44) VCPPSMC4GAAKDM4ELMNA
SCHEMBL7000322 0.80 SRC (0.44) VCPPSMC4GAASMN1; SMN2NR1H4
SCHEMBL6995378 0.79 ABCG2 (0.48) VCPPSMC4NR1H4
SCHEMBL7005722 0.79 KDM4E (0.48) VCPHPGDPSMC4ALDH1A1KDM4E
SCHEMBL6995505 0.78 KDM4E (0.47) VCPHPGDPSMC4ALDH1A1KDM4E
SCHEMBL7827356 0.78 ALDH1A1 (0.46) VCPHPGDPSMC4ALDH1A1KDM4E

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 710/4885HPGD 4780/4885PSMC4 3179/4885

“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.