SCHEMBL4344327

SCHEMBL4344327

O=C(OCc1ccccc1)N1CCC(S(=O)(=O)N2CC[CH]CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
CYP2C19 P33261 1/20 0.58
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GRIN2B Q13224 9/20 0.50
HTT P42858 1/20 0.50
CYP2D6 P10635 4/20 0.49
CYP2C9 P11712 4/20 0.49
F13A1 P00488 2/20 0.47
TGM2 P21980 2/20 0.47
TGM1 P22735 2/20 0.47
CYP3A4 P08684 3/20 0.47
ENPP2 Q13822 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46

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
SCHEMBL29254531 0.84 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL23673734 0.83 STS (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL771824 0.83 MEN1 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1487217 0.82 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL477255 0.82 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL10297355 0.82 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14992459 0.81 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL20659413 0.80 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14056986 0.80 TGM2 (0.61) SMN1; SMN2NPC1RAB9AF13A1TGM2
SCHEMBL477390 0.79 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 US disclosed
CN-101500569-A HIF hydroxylase inhibitors for treatment of anemia of cancer FIBROGEN INC (US) 2009-08-05 CN disclosed
CN-101490041-A 2-heterocycloamino-4-imidazolylpyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB (SE) 2009-07-22 CN disclosed
EP-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 SMN1; SMN2 1708/4885NPC1 3699/4885RAB9A 2896/4885

“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.