SCHEMBL7003186

SCHEMBL7003186

CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)c3ccccc3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
PKM P14618 1/20 0.48
VCP P55072 5/20 0.47
PSMC4 P43686 1/20 0.47
SRC P12931 2/20 0.43
HPGD P15428 2/20 0.43
ABL1 P00519 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PDE11A Q9HCR9 1/20 0.41
PDE10A Q9Y233 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL7005722 0.93 KDM4E (0.48) KDM4ELMNAMAPTPOLBPKM
SCHEMBL6999715 0.93 NR1H4 (0.49) KDM4ELMNAMAPTPOLBVCP
SCHEMBL6995505 0.92 KDM4E (0.47) KDM4ELMNAMAPTVCPPSMC4
SCHEMBL7003800 0.90 MAPT (0.45) KDM4ELMNAMAPTPOLBPKM
SCHEMBL7004924 0.90 VCP (0.44) KDM4ELMNAMAPTPOLBPKM
SCHEMBL6995378 0.89 ABCG2 (0.48) VCPPSMC4ABCB1ABCG2NR1H4
SCHEMBL6997961 0.88 VCP (0.48) KDM4ELMNAMAPTPOLBVCP
SCHEMBL6997770 0.87 PTGDR2 (0.44) KDM4ELMNAMAPTVCPPSMC4
SCHEMBL7001373 0.87 VCP (0.47) KDM4ELMNAMAPTPOLBVCP
SCHEMBL6995074 0.85 VCP (0.46) KDM4EVCPPSMC4SRCABL1

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 KDM4E 1129/4885LMNA 4399/4885MAPT 3225/4885

“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.