SCHEMBL7001980

SCHEMBL7001980

Cn1nc(-c2ccccc2)c2c(NC3CCCCC3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ADORA1 P30542 5/20 0.43
ADORA2A P29274 4/20 0.43
ADORA3 P0DMS8 3/20 0.42
TP53 P04637 2/20 0.42
KMT2A Q03164 2/20 0.41
PARP1 P09874 1/20 0.41
ADORA2B P29275 2/20 0.40
CNR1 P21554 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6999852 0.99 MAPT (0.43) MAPTGAAKDM4EADORA1ADORA2A
SCHEMBL7001981 0.85 L3MBTL1 (0.48) MAPTGAAKDM4EADORA1ADORA2A
SCHEMBL7001675 0.84 L3MBTL1 (0.46) MAPTKDM4EADORA1ADORA2AADORA3
SCHEMBL7003811 0.82 BRD4 (0.44) MAPTGAAKDM4EKMT2AALDH1A1
SCHEMBL7003936 0.81 BRD4 (0.42) MAPTGAAKDM4EADORA1KMT2A
SCHEMBL6995164 0.75 MAPK13 (0.43) MAPTGAAKDM4ETP53KMT2A
SCHEMBL7000118 0.72 ADORA3 (0.49) GAAADORA1ADORA2AADORA3TP53
SCHEMBL7006143 0.71 MAPK13 (0.47) MAPTGAAKDM4EKMT2APARP1
SCHEMBL7001239 0.71 MAPK13 (0.43) MAPTGAAKDM4EKMT2AALDH1A1
SCHEMBL7002540 0.70 MAPK13 (0.42) MAPTKDM4EKMT2AALDH1A1MEN1

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 MAPT 3225/4885GAA 2761/4885KDM4E 1129/4885

“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.