SCHEMBL21961346

SCHEMBL21961346

CNC(=O)c1nn(CC(F)F)cc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
MAP3K14 Q99558 1/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CFTR P13569 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
TYK2 P29597 2/20 0.33
TGFBR1 P36897 1/20 0.32
GLS O94925 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
HTR3A P46098 1/20 0.31
NTRK1 P04629 1/20 0.30
NTRK3 Q16288 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30

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
SCHEMBL7521773 0.81 NPC1 (0.54) NPC1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL7510800 0.79 PDE10A (0.42) NPC1KDM4EALDH1A1CFTRTP53
SCHEMBL19885990 0.79 KDM4E (0.41) NPC1KDM4EALDH1A1CFTRTYK2
SCHEMBL21960981 0.78 ALDH1A1 (0.47) NPC1ALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL7513476 0.77 PDE10A (0.44) NPC1KDM4EALDH1A1CFTRTP53
SCHEMBL7517748 0.77 PDE10A (0.43) NPC1KDM4EALDH1A1CFTRHDAC1
SCHEMBL7514149 0.75 PDE10A (0.45) NPC1KDM4EALDH1A1CFTRHDAC1
SCHEMBL21960363 0.75 ALDH1A1 (0.44) MAP3K14KDM4EALDH1A1HDAC1HDAC2
SCHEMBL21960840 0.75 KDM4C (0.40) MAP3K14ALDH1A1SMN1; SMN2
SCHEMBL1559700 0.73 GAA (0.40) CFTRSMN1; SMN2GAABAZ2BADCY10

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 BACE1 2175/4885BACE2 2306/4885MAP3K14 4/4885

“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.