SCHEMBL21961349

SCHEMBL21961349

CCn1ncc(N)c1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PIK3CA P42336 7/20 0.38
MTOR P42345 6/20 0.38
PIK3R1 P27986 5/20 0.38
LRRK2 Q5S007 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NUDT1 P36639 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL21960938 0.83 SMPD3 (0.40) SMPD3L3MBTL1GAAKDM4EPIK3CA
SCHEMBL7514693 0.75 LMNA (0.43) L3MBTL1PIK3CAKMT2ASMN1; SMN2
SCHEMBL21961008 0.75 MAP3K14 (0.40) SMPD3L3MBTL1GAAKDM4EPIK3CA
SCHEMBL16985426 0.68 MAPT (0.43) MAPK1SMN1; SMN2
SCHEMBL19140821 0.68 PIK3CA (0.54) PIK3CAMTORPIK3R1
SCHEMBL1802878 0.67
SCHEMBL3194419 0.66 HASPIN (0.30)
SCHEMBL14638402 0.65
SCHEMBL28205706 0.65
SCHEMBL14800128 0.65 PIM1 (0.36) KDM4EPKM

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 SMPD3 2363/4885L3MBTL1 2728/4885GAA 1383/4885

“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.