SCHEMBL21964586

SCHEMBL21964586

COC(=O)c1cn(CC(F)F)nc1C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.41
MAP3K14 Q99558 1/20 0.38
F2 P00734 3/20 0.37
IRAK4 Q9NWZ3 3/20 0.35
KLKB1 P03952 1/20 0.35
HTR3A P46098 6/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MGLL Q99685 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL21960924 0.85 PDE2A (0.39) PDE2AMAP3K14F2KLKB1HTR3A
SCHEMBL29333772 0.80 KDM4E (0.43) HTR3AALDH1A1HPGDHSD17B10KMT2A
SCHEMBL29333794 0.76 EPHX2 (0.44) MAP3K14KLKB1HTR3AALDH1A1MGLL
SCHEMBL29334106 0.75 MAPT (0.37) KLKB1ALDH1A1HSD17B10
SCHEMBL29333800 0.75 EPHX2 (0.40) MAP3K14IRAK4KLKB1HTR3AMGLL
SCHEMBL29334059 0.73 TDP1 (0.36) KLKB1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL21961388 0.71 F10 (0.41) MAP3K14MEN1KMT2A
SCHEMBL21960965 0.70 MAP3K14 (0.35) MAP3K14KLKB1ALDH1A1HPGDMEN1
SCHEMBL15885600 0.70 PDE4B (0.46) IRAK4OPRK1ALDH1A1
SCHEMBL21960911 0.69 LRRK2 (0.39) IRAK4OPRK1ALDH1A1HPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP 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-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE PDE2A 4213/4885MAP3K14 4/4885F2 4608/4885

“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.