SCHEMBL20939735

SCHEMBL20939735

Cc1cc2c(cc1N)CCN(C)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
DRD1 P21728 5/20 0.47
DRD5 P21918 4/20 0.47
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
DRD3 P35462 3/20 0.41
SLC6A4 P31645 1/20 0.41
ATAD2 Q6PL18 1/20 0.39
DRD4 P21917 1/20 0.39
NOS1 P29475 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 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
SCHEMBL24073822 0.92 MAOA (0.53) DRD2DRD1DRD5HSD17B10MAOA
SCHEMBL25557887 0.92 MAOA (0.53) DRD2DRD1DRD5HSD17B10MAOA
SCHEMBL30604480 0.84 CYP3A4 (0.52) HSD17B10CYP3A4TSHRMAPK1ATAD2
SCHEMBL22421086 0.84 DRD2 (0.48) DRD2DRD1DRD5MAOAMAOB
SCHEMBL19995801 0.84 CYP3A4 (0.52) HSD17B10CYP3A4TSHRMAPK1ATAD2
SCHEMBL25558931 0.81 HSD17B10 (0.45) DRD2DRD1DRD5HSD17B10MAOA
SCHEMBL25557990 0.80 CYP3A4 (0.44) HSD17B10CYP3A4TSHRMAPK1MAOA
SCHEMBL3822542 0.79 ALDH1A1 (0.48) HSD17B10CYP3A4TSHRMAPK1ATAD2
SCHEMBL19995809 0.79 ALDH1A1 (0.54) HSD17B10CYP3A4TSHRMAPK1ATAD2
SCHEMBL10232034 0.77 ALDH1A1 (0.52) HSD17B10CYP3A4TSHRMAPK1ATAD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 US disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 US disclosed
EP-3478673-B1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-16 EP disclosed
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-04-25 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 (3 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-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 DRD2 4244/4885DRD1 3739/4885DRD5 4039/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB DRD2 4057/4885DRD1 3173/4885DRD5 3497/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 DRD2 4244/4885DRD1 3739/4885DRD5 4039/4885

“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.