SCHEMBL1924167

SCHEMBL1924167

CN(C)C(=O)C(=O)c1c(Cl)[nH]c2cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.44
MAT2A P31153 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL1923879 0.82 NR4A2 (0.59) SMN1; SMN2
SCHEMBL8350945 0.79 NR4A2 (0.49) ALOX15CA9TP53SMN1; SMN2MEN1
SCHEMBL12571203 0.76 ALOX15 (0.60) ALOX15
SCHEMBL1924188 0.70 GAA (0.53) ALOX15MAT2ASMN1; SMN2KDM4EMEN1
SCHEMBL25176227 0.69 ALOX15 (0.62) ALOX15TP53SMN1; SMN2LMNAKDM4E
SCHEMBL614551 0.69 LMNA (0.54) ALOX15TP53SMN1; SMN2LMNAKDM4E
SCHEMBL22450909 0.67 MAP2 (0.52) ALOX15CA12CA9LMNAMEN1
SCHEMBL1923609 0.67 GFER (0.53) SMN1; SMN2MEN1KMT2AGAA
SCHEMBL28549472 0.67 GRIN2D (0.56) CA12CA9TP53SMN1; SMN2MEN1
SCHEMBL2334081 0.66 CYP1A2 (0.45) CYP2C9BLMGRIN2DGRIN3BGRIN1

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-1874777-B1 1H-PYRIMIDO[4,5-B]INDOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE SANOFI AVENTIS (FR) 2011-06-08 EP disclosed
US-20090215741-A1 1H-Pyrimido[4,5-b]indole Derivatives, Their Preparation and Therapeutic Use SANOFI-AVENTIS (FR) 2009-08-27 US disclosed
US-7547706-B2 1H-pyrimido[4,5-b]indole derivatives, their preparation and therapeutic use SANOFI-AVENTIS (FR) 2009-06-16 US disclosed
US-20080125410-A1 7-chloro-N,N-9-trimethyl-2-(6-methylpyridin-3-yl)-9H-pyrimido[4,5-b]indole-4-carboxamide; ethyl 7-chloro-9-methyl-2-phenyl-9H-pyrimido[4,5-b]indole-4-carboxylate; 4-[(4-azetidin-1-yl)piperidin-1-ylcarbonyl]-7-chloro-9-methyl-2-phenyl-9H-pyrimido-[4,5-b]indole; Alzheimer's or Parkinson's disease SANOFI-AVENTIS (FR) 2008-05-29 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 (2 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-20090215741-A1 1H-Pyrimido[4,5-b]indole Derivatives, Their Preparation and Therapeutic Use IDO1, IDO2, TPH1 ALOX15 963/4885MAT2A 2115/4885CA12 4577/4885
US-20080125410-A1 7-chloro-N,N-9-trimethyl-2-(6-methylpyridin-3-yl)-9H-pyrimido[4,5-b]indole-4-carboxamide; ethyl 7-chloro-9-methyl-2-phenyl-9H-pyrimido[4,5-b]indole-4-carboxylate; 4-[(4-azetidin-1-yl)piperidin-1-ylcarbonyl]-7-chloro-9-methyl-2-phenyl-9H-pyrimido-[4,5-b]indole; Alzheimer's or Parkinson's disease PARK7, SNCA, PSEN2 ALOX15 3102/4885MAT2A 1167/4885CA12 3895/4885

“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.