SCHEMBL1027561

SCHEMBL1027561

O=C(O)NC1CCN(c2ccc([N+](=O)[O-])cc2Br)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 5/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
RHOA P61586 1/20 0.41
HTR1A P08908 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PAX8 Q06710 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
SCHEMBL4367577 1.00 TDP1 (0.48) TDP1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL5264676 0.86 ALDH1A1 (0.54) TDP1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL5264680 0.86 ALDH1A1 (0.54) TDP1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL13623225 0.84 MAPT (0.45) TDP1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL13623221 0.84 DRD2 (0.49) TDP1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL27152640 0.81 NOTUM (0.50)
SCHEMBL27140457 0.81 NOTUM (0.50)
SCHEMBL27140458 0.81 NOTUM (0.50)
SCHEMBL1749545 0.80 MAPT (0.59) MAPTHTTALDH1A1SMN1; SMN2CA12
SCHEMBL1749546 0.80 MAPT (0.59) MAPTHTTALDH1A1SMN1; SMN2CA12

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
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK TDP1 1824/4885MAPT 3239/4885HTT 2476/4885

“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.