SCHEMBL13632607

SCHEMBL13632607

O=[N+]([O-])c1cccc(-c2cccc3c(Nc4ccc(N5CCOCC5)cc4)nccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.52
MAPT P10636 7/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
MAPK1 P28482 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MET P08581 1/20 0.47
KDR P35968 2/20 0.47
EIF2AK2 P19525 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.46
JAK2 O60674 2/20 0.46
SRC P12931 1/20 0.45
PTK2 Q05397 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
YES1 P07947 1/20 0.45

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
SCHEMBL4515484 0.85 ALDH1A1 (0.48) MAPKAPK2MAPTMEN1KMT2ATDP1
SCHEMBL13632606 0.84 JAK2 (0.63) MAPKAPK2MAPTMEN1KMT2AMAPK1
SCHEMBL7130500 0.76 ABCG2 (0.63) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16514999 0.76 MAPKAPK2 (0.49) MAPKAPK2MAPTMEN1KMT2ATDP1
SCHEMBL29575943 0.76 MAPKAPK2 (0.49) MAPKAPK2MAPTMEN1KMT2ATDP1
SCHEMBL29847759 0.76 MAPKAPK2 (0.47) MAPKAPK2MAPTMEN1KMT2ATDP1
SCHEMBL16514038 0.76 MAPKAPK2 (0.47) MAPKAPK2MAPTMEN1KMT2ATDP1
SCHEMBL16513921 0.76 MAPKAPK2 (0.47) MAPKAPK2MAPTMEN1KMT2ATDP1
SCHEMBL29847696 0.76 MAPKAPK2 (0.47) MAPKAPK2MAPTMEN1KMT2ATDP1
SCHEMBL4892030 0.74 EIF2AK2 (0.79) MAPTMEN1KMT2ATDP1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291949-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2009-11-26 US disclosed
US-20090291949-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2009-11-26 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-20090291949-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS HRH4, NR1H2, NR1H3 MAPKAPK2 4179/4885MAPT 3964/4885MEN1 2242/4885

“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.