SCHEMBL1023731

SCHEMBL1023731

N#Cc1cccnc1N1CCC(CC(=O)OC(=O)C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.55
▸ RECQL P46063 1/20 0.55
▸ LDHA P00338 1/20 0.52
▸ MALT1 Q9UDY8 1/20 0.46
▸ LCAT P04180 1/20 0.44
▸ HSD11B1 P28845 2/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ RBP4 P02753 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ PANK3 Q9H999 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ PREP P48147 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 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
Trifluoroacetic Acid SCHEMBL1023728 0.84 KDM4E (0.58) KDM4ERECQLLDHAMALT1LCAT
SCHEMBL4355886 0.84 CHRM4 (0.48) DRD2
SCHEMBL1025467 0.84 HRH4 (0.43) KDM4ERECQLLDHAALDH1A1MAPT
SCHEMBL13622633 0.81 KDM4E (0.66) KDM4ERECQLLDHAMALT1HSD11B1
SCHEMBL1026507 0.80 KDM4E (0.47) KDM4EALDH1A1RBP4TTRDPP4
SCHEMBL1026869 0.80 KDM4E (0.53) KDM4ERECQLLDHAMALT1LCAT
SCHEMBL1024330 0.78 ALDH1A1 (0.52) KDM4ERECQLALDH1A1DRD2DPP4
Acetic Acid SCHEMBL1026868 0.78 KDM4E (0.56) KDM4ERECQLLDHAMALT1LCAT
SCHEMBL4359941 0.78 CHRM4 (0.51) MALT1LCATPANK3
SCHEMBL1025117 0.77 ALDH1A1 (0.36) KDM4ELDHAMALT1ALDH1A1MAPT

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 KDM4E 248/4885RECQL 3387/4885LDHA 3939/4885

“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.

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