SCHEMBL23880241

SCHEMBL23880241

Cn1nc(N)cc1C(=O)N1CCC(F)(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CNR1 P21554 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
SCHEMBL14912522 0.83 KDM4E (0.46) KMT2AHPGD
SCHEMBL14912963 0.79 SMN1; SMN2 (0.47) HPGDMAPK1
SCHEMBL21961316 0.79 L3MBTL1 (0.37) MAP3K14HRH3CYP2D6KMT2AGRM4
SCHEMBL21961311 0.77 NR2E1 (0.39) MAP3K14KDM1AKMT2AGRM4VNN1
SCHEMBL26241947 0.70 KDM4E (0.40) KMT2A
SCHEMBL3760854 0.69 KDM4E (0.39) KMT2A
SCHEMBL1663229 0.69 GRN (0.56) —
SCHEMBL19010739 0.69 HRH4 (0.40) CYP2D6KMT2AHPGD
SCHEMBL24630337 0.68 KDM4E (0.36) CYP2D6KMT2A
SCHEMBL30367514 0.67 L3MBTL3 (0.41) KMT2AHDAC1HDAC2HDAC3HPGD

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 1 patent. 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

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 MAP3K14 4/4885KDM1A 2463/4885HRH3 2496/4885

“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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