SCHEMBL16205339

SCHEMBL16205339

C[C@H]1CCN(CCC(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT1 Q99873 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
KCNA3 P22001 1/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
ACHE P22303 2/20 0.34
SIGMAR1 Q99720 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL1515197 1.00 CARM1 (0.38) CARM1PRMT6PRMT1PRMT8KCNA3
SCHEMBL16608274 1.00 CARM1 (0.38) CARM1PRMT6PRMT1PRMT8KCNA3
SCHEMBL13058 0.89 KDM4E (0.44) POLBHRH3KDM4E
SCHEMBL18080748 0.89 KDM4E (0.44) POLBHRH3KDM4E
SCHEMBL12449642 0.89 KDM4E (0.44) POLBHRH3KDM4E
SCHEMBL1515168 0.88 CARM1 (0.50) CARM1PRMT6PRMT1PRMT8KCNA3
SCHEMBL1515289 0.83
SCHEMBL13683459 0.82 CARM1 (0.39) CARM1PRMT6PRMT1PRMT8KCNA3
SCHEMBL10130266 0.82 CARM1 (0.39) CARM1PRMT6PRMT1PRMT8KCNA3
SCHEMBL17307156 0.82 CARM1 (0.39) CARM1PRMT6PRMT1PRMT8KCNA3

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-9643964-B2 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-05-09 US disclosed
US-9643964-B2 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-05-09 US disclosed
US-20160075699-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-17 US disclosed
WO-2014174021-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2014-10-30 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-20160075699-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER NFKBIA, IKBKG, MAP3K14 CARM1 2610/4885PRMT6 1312/4885PRMT1 1193/4885

“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.