SCHEMBL4113201

SCHEMBL4113201

O=C(Nc1ccncc1)Nn1ccc2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
GRIK1 P39086 1/20 0.48
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
MDM2 Q00987 1/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
KCNMA1 Q12791 1/20 0.45
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
NT5E P21589 1/20 0.43
SLC6A2 P23975 1/20 0.43
CNR1 P21554 1/20 0.42
NAMPT P43490 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
SCHEMBL4103818 0.87 KMT2A (0.50) KMT2AMEN1GRIK1LMNAMAPT
SCHEMBL4101401 0.83 OXER1 (0.46) SLC6A2
SCHEMBL4101409 0.81 SLC6A2 (0.61) KMT2AMEN1JAK2TYK2MDM2
SCHEMBL7610700 0.79 SLC6A2 (0.62) KMT2AMEN1JAK2JAK1TYK2
SCHEMBL4101233 0.79 RAB9A (0.52) KMT2AMEN1GRIK1LMNAKCNMA1
Maleic Acid SCHEMBL7616566 0.78 SLC6A2 (0.53) KMT2AMEN1GRIK1JAK2JAK1
Fumaric Acid SCHEMBL7616572 0.78 SLC6A2 (0.53) KMT2AMEN1GRIK1JAK2JAK1
SCHEMBL28614456 0.76 CA12 (0.54) KMT2AMEN1LMNAMAPTCNR1
SCHEMBL27777662 0.75 OXER1 (0.43) SLC6A2
SCHEMBL28980321 0.75 OXER1 (0.43) KMT2ASLC6A2

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
EP-2078716-A1 New derivatives of 1H-indol-1-yl-urea, method for preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-07-15 EP disclosed
US-20090176794-A1 1H-INDOL-1-YL-UREA COMPOUNDS LES LABORATOIRES SERVIER (FR) 2009-07-09 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-20090176794-A1 1H-INDOL-1-YL-UREA COMPOUNDS TPH1, HTR1D, IDO1 KMT2A 2091/4885MEN1 2140/4885GRIK1 337/4885

“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.