SCHEMBL6119752

SCHEMBL6119752

O=C(OC1CCN(C(=O)O)CC1F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC18A3 Q16572 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
CHRNA7 P36544 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACHE P22303 1/20 0.40
SCN1A P35498 1/20 0.40

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
SCHEMBL6120782 0.85 KDM4E (0.51) MEN1KMT2A
SCHEMBL19032323 0.85 SMN1; SMN2 (0.50) MEN1KMT2ACHRM2CHRM4CHRM1
SCHEMBL1965469 0.84 SMN1; SMN2 (0.55) MEN1KMT2ACYP2C9CYP2C19
SCHEMBL1965468 0.84 SMN1; SMN2 (0.55) MEN1KMT2ACYP2C9CYP2C19
SCHEMBL19023244 0.83 MEN1 (0.49) MEN1KMT2ASLC18A3DPP7CHRM2
SCHEMBL19023241 0.83 MEN1 (0.49) MEN1KMT2ASLC18A3DPP7CHRM2
SCHEMBL19023243 0.83 MEN1 (0.49) MEN1KMT2ASLC18A3DPP7CHRM2
SCHEMBL19032404 0.83 MEN1 (0.49) MEN1KMT2ASLC18A3DPP7CHRM2
SCHEMBL4218547 0.80 MEN1 (0.61) MEN1KMT2ADPP7CHRNA7HTR3E
SCHEMBL16380362 0.78 MEN1 (0.44) MEN1KMT2ASLC18A3CHRM2CHRM4

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-9034884-B2 Heterocyclic-substituted pyrrolopyridines and pyrrolopyrimidines as JAK inhibitors INCYTE CORPORATION (US) 2015-05-19 US disclosed
EP-2640725-B1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS INCYTE CORP (US) 2015-01-07 EP disclosed
EP-2640725-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS Incyte Corporation (US) 2013-09-25 EP disclosed
US-20120149682-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 US disclosed
WO-2012068440-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 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-20120149682-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS JAK2, JAK1, JAK3 MEN1 2982/4885KMT2A 671/4885SLC18A3 4885/4885

“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.