SCHEMBL13622692

SCHEMBL13622692

Cc1cc(C)c(C#N)c(N2CCC(CC(=O)O)CC2)n1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
KDM4E B2RXH2 9/20 0.67
TDP1 Q9NUW8 1/20 0.67
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
LMNA P02545 1/20 0.65
HPGD P15428 6/20 0.60
HSD17B10 Q99714 6/20 0.60
RECQL P46063 1/20 0.60
KHK P50053 2/20 0.56
TSHR P16473 1/20 0.56
POLB P06746 3/20 0.54
FFAR4 Q5NUL3 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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 SCHEMBL1023807 0.94 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL1023810 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL13669965 0.81 KDM4E (0.46) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL13622690 0.81 HRH4 (0.51) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL15831845 0.80 POLB (0.68) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL13572929 0.76 ALDH1A1 (0.64) ALDH1A1KDM4ETDP1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL1022986 0.75 FFAR4 (0.48) ALDH1A1KDM4EHPGDHSD17B10KHK
SCHEMBL23841212 0.75 KDM4E (0.97) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL13669869 0.74 PDE4B (0.46) FFAR4
SCHEMBL13622681 0.73 FFAR4 (0.54) KDM4EKHKFFAR4

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
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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 (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 ALDH1A1 2511/4885KDM4E 248/4885TDP1 1824/4885

“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.