SCHEMBL7003936

SCHEMBL7003936

c1ccc(Cn2nc(-c3ccccc3)c3c(NC4CCCC4)cccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ROCK2 O75116 3/20 0.41
MERTK Q12866 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ROCK1 Q13464 2/20 0.40
ARHGDIA P52565 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ADORA1 P30542 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE5A O76074 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 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
SCHEMBL7003811 0.99 BRD4 (0.44) BRD4MEN1KMT2AROCK2MERTK
SCHEMBL7001675 0.82 L3MBTL1 (0.46) KDM4EADORA1MAPT
SCHEMBL6999852 0.82 MAPT (0.43) BRD4MEN1KMT2AKDM4EGAA
SCHEMBL7001981 0.81 L3MBTL1 (0.48) KDM4EGAAADORA1MAPT
SCHEMBL7001980 0.81 MAPT (0.46) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL7000693 0.79 ALDH1A1 (0.44) MEN1KMT2AMERTKKDM4EGAA
SCHEMBL6993931 0.75 PDE4A (0.41) MEN1KMT2AMERTKALDH1A1ADORA1
SCHEMBL7002366 0.74 ESR1 (0.52) MEN1KMT2AGAAALDH1A1ADORA1
SCHEMBL6999480 0.74 ALDH1A1 (0.41) MEN1KMT2AMERTKALDH1A1SMN1; SMN2
SCHEMBL7003365 0.73 ALDH1A1 (0.48) MEN1KMT2AKDM4EGAAALDH1A1

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 4 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

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 BRD4 2477/4885MEN1 3818/4885KMT2A 1634/4885

“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.