SCHEMBL21964592

SCHEMBL21964592

COCCc1c(C(=O)O)cnn1CC(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
NR4A3 Q92570 1/20 0.36
ALDH1A1 P00352 6/20 0.34
MAP3K14 Q99558 1/20 0.34
KDM4C Q9H3R0 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
MAPK14 Q16539 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 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
SCHEMBL21960962 0.89 MAP3K14 (0.36) ALDH1A1MAP3K14MAPK14LMNATSHR
SCHEMBL21960977 0.77 MAP3K14 (0.34) MAP3K14
SCHEMBL17438003 0.75 KDM4E (0.40) NR4A3ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL3293316 0.73 NR4A3 (0.38) HCAR2NR4A3ALDH1A1KDM4CSMN1; SMN2
SCHEMBL21960976 0.72 NPC1 (0.45) SMN1; SMN2POLB
SCHEMBL25623930 0.72 ALDH1A1 (0.34) NR4A3ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL26135833 0.72 ALKBH1 (0.37) NR4A3ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL21964587 0.71 HCAR2 (0.38) HCAR2MAP3K14MAPK1TSHR
SCHEMBL25108322 0.69 KDM4E (0.30) ALDH1A1SMN1; SMN2MAPT
SCHEMBL772194 0.68 S1PR1 (0.51)

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 HCAR2 1525/4885NR4A3 1137/4885ALDH1A1 3872/4885

“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.