SCHEMBL7086793

SCHEMBL7086793

Nc1c(Nc2cnccn2)c(=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.40
HSP90AA1 P07900 1/20 0.38
KDR P35968 1/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
LCK P06239 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL12784950 0.79 MAPKAPK2 (0.45) MAPKAPK2KDRKMT2AALDH1A1KDM4E
SCHEMBL7090800 0.75 MEN1 (0.50) KDRKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5787755 0.73 KDR (0.47) HSP90AA1KDRKMT2AALDH1A1KDM4E
SCHEMBL6986797 0.72 TSHR (0.48) MAPKAPK2KMT2AALDH1A1KDM4EHPGD
SCHEMBL7346763 0.70 TDO2 (0.50) KMT2ANPC1RAB9AJAK1TYK2
SCHEMBL8153305 0.69 MKNK1 (0.41) MAPKAPK2KDRKMT2AALDH1A1KDM4E
SCHEMBL5139668 0.68 HSP90AA1 (0.52) MAPKAPK2HSP90AA1KDRKMT2AALDH1A1
SCHEMBL27756327 0.68 HSP90AA1 (0.41) HSP90AA1KDRKMT2AALDH1A1KDM4E
SCHEMBL22971222 0.67 ALDH1A1 (0.41) KDRKMT2AALDH1A1KDM4EHPGD
SCHEMBL29806164 0.67 RAD52 (0.53) HSP90AA1KDRKMT2AALDH1A1KDM4E

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-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 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-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MAPKAPK2 2283/4885HSP90AA1 3082/4885KDR 3730/4885

“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.