SCHEMBL21960976

SCHEMBL21960976

COCCc1c(NC(=O)OCc2ccccc2)cnn1CC(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 4/20 0.39
KDR P35968 1/20 0.39
TACR3 P29371 1/20 0.38
MGLL Q99685 2/20 0.38
FAAH O00519 1/20 0.38
ELANE P08246 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL21960979 0.79 NPC1 (0.46) NPC1RAB9APOLBSMN1; SMN2CASP3
SCHEMBL21960962 0.72 MAP3K14 (0.36) L3MBTL1
SCHEMBL21964592 0.72 HCAR2 (0.37) POLBSMN1; SMN2
SCHEMBL21960377 0.71 NPC1 (0.51) NPC1RAB9APOLBSMN1; SMN2CASP3
SCHEMBL21960977 0.67 MAP3K14 (0.34)
SCHEMBL12453372 0.66 NPC1 (0.52) NPC1RAB9APOLBSMN1; SMN2CASP3
SCHEMBL22842966 0.65 NPC1 (0.49) NPC1RAB9APOLBSMN1; SMN2TACR3
SCHEMBL3105408 0.64 RAB9A (0.60) NPC1RAB9APOLBSMN1; SMN2CASP3
SCHEMBL10874779 0.64 NPC1 (0.68) NPC1RAB9APOLBSMN1; SMN2HTT
SCHEMBL7008912 0.64 NPC1 (0.59) NPC1RAB9APOLBSMN1; SMN2CASP3

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 NPC1 1362/4885RAB9A 3698/4885POLB 1088/4885

“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.