SCHEMBL21961311

SCHEMBL21961311

Cn1nc(C(=O)N2CCC(F)(F)CC2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ MAP3K14 Q99558 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GRM4 Q14833 1/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34

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
SCHEMBL15649920 0.79 SMN1; SMN2 (0.50) LMNARAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL23880241 0.77 MAP3K14 (0.37) KDM1AKMT2AMAP3K14GRM4VNN1
SCHEMBL31234735 0.72 IP6K1 (0.39) HTR2ACHRNA7
SCHEMBL5879683 0.69 KDM4E (0.39) ALDH1A1HIF1A
SCHEMBL12011404 0.69 BAZ2B (0.39) RAB9AKMT2AMAP3K14CHRNA7ALDH1A1
SCHEMBL15942241 0.69 PLA2G10 (0.49) LMNAMAP3K14ALDH1A1L3MBTL1HPGD
SCHEMBL21964552 0.68 KDM4E (0.42) RAB9AKMT2ACHRNA7ALDH1A1HPGD
SCHEMBL21961316 0.68 L3MBTL1 (0.37) KMT2AMAP3K14ALDH1A1L3MBTL1GRM4
SCHEMBL25836393 0.68 CNR2 (0.47) HPGDSCN9A
SCHEMBL15402491 0.67 PDE10A (0.44) HTR2ACHRNA7GRM4NAMPTRIPK1

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 NR2E1 860/4885KDM1A 2463/4885HTR2A 4746/4885

“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.

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