SCHEMBL21964556

SCHEMBL21964556

COCCn1nc(C2CCOCC2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.39
BRD4 O60885 1/20 0.36
CACNA1B Q00975 1/20 0.35
HTR6 P50406 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAP3K12 Q12852 8/20 0.32
MAPK1 P28482 2/20 0.32
F2 P00734 1/20 0.31
DNMT1 P26358 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL17045710 0.90 NPC1 (0.37) NPC1LMNATP53PKMRAB9A
SCHEMBL21847667 0.76 LRRK2 (0.40) CACNA1BHTR6NPC1LMNATP53
SCHEMBL1924976 0.76 ILK (0.39) NPC1LMNATP53PKMRAB9A
SCHEMBL27409526 0.74 GAA (0.38) NPC1LMNATP53PKMRAB9A
SCHEMBL18040217 0.71 MPO (0.39) NPC1LMNARAB9AMAP3K12
SCHEMBL17045428 0.70 NPC1 (0.40) NPC1LMNATP53PKMRAB9A
SCHEMBL15283409 0.70 RET (0.39) MAP3K14CACNA1BNPC1LMNATP53
SCHEMBL14662929 0.70 SMN1; SMN2 (0.41) NPC1LMNATP53PKMRAB9A
SCHEMBL11697399 0.70 L3MBTL1 (0.47) LMNASMN1; SMN2MAPK1
SCHEMBL17045306 0.69 NPC1 (0.36) NPC1LMNATP53PKMRAB9A

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 MAP3K14 4/4885BRD4 973/4885CACNA1B 4828/4885

“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.