SCHEMBL21964575

SCHEMBL21964575

CCOC(=O)c1cc(N)n(CCOC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TSHR P16473 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGER4 P35408 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PDE4D Q08499 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL19616009 0.86 CNR1 (0.42) ALDH1A1NPC1TSHRPOLBCNR1
SCHEMBL1738098 0.84 KMT2A (0.45) ALDH1A1NPC1RAB9ATSHRPOLB
SCHEMBL12100567 0.83 CNR2 (0.45) ALDH1A1NPC1RAB9ATSHRPOLB
SCHEMBL21960379 0.82 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ATSHRPOLB
SCHEMBL4705103 0.82 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ATSHRPOLB
SCHEMBL31459316 0.81 GAA (0.42) ALDH1A1TSHRPOLBCNR1CNR2
SCHEMBL11780611 0.81 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ATSHRPOLB
SCHEMBL14357201 0.81 KMT2A (0.43) ALDH1A1NPC1RAB9ATSHRPOLB
SCHEMBL8003314 0.79 LMNA (0.47) ALDH1A1NPC1RAB9APOLBLMNA
SCHEMBL1233457 0.79 CNR1 (0.43) TSHRPOLBCNR1CNR2KMT2A

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 ALDH1A1 3872/4885NPC1 1362/4885RAB9A 3698/4885

“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.