SCHEMBL4929100

SCHEMBL4929100

O=C(Nc1ccc(N2CCNCC2)cc1)c1ncsc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.51
MT-CO2 P00403 1/20 0.51
LCK P06239 1/20 0.49
MAPK14 Q16539 1/20 0.49
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC2A1 P11166 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL4934125 0.91 MAPKAPK2 (0.52) MAPKAPK2MT-CO2RAB9AMEN1KMT2A
SCHEMBL4932310 0.85 MAPT (0.55) MAPKAPK2RAB9AMEN1NPC1KMT2A
SCHEMBL14114416 0.81 MAPKAPK2 (0.48) MAPKAPK2MT-CO2RAB9ANPC1MAPT
SCHEMBL14114411 0.81 MT-CO2 (0.52) MAPKAPK2MT-CO2LCKMAPK14RAB9A
Hydrochloric Acid SCHEMBL4925435 0.81 MAPKAPK2 (0.47) MAPKAPK2MT-CO2RAB9ANPC1MAPT
SCHEMBL4925457 0.80 MAPT (0.51) RAB9AMEN1NPC1KMT2ALMNA
SCHEMBL14114413 0.79 F10 (0.41) MAPKAPK2
SCHEMBL14114419 0.75 GHSR (0.54) MEN1KMT2ALMNAMAPTJAK2
SCHEMBL16605558 0.73 MAPKAPK2 (0.74) MAPKAPK2MT-CO2RAB9AMEN1NPC1
SCHEMBL4935840 0.73 KMT2A (0.52) RAB9AMEN1KMT2ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 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-20080167309-A1 Pharmaceutical Compounds CCNO, CDK2, CDK1 MAPKAPK2 505/4885MT-CO2 1131/4885LCK 568/4885

“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.