SCHEMBL20939670

SCHEMBL20939670

Nc1ccc2c(c1Br)CCN(C1COC1)C2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.32
HTR6 P50406 1/20 0.31
ATR Q13535 2/20 0.31
GUCY1B2 O75343 3/20 0.31
GUCY1A2 P33402 3/20 0.31
GUCY1A1 Q02108 3/20 0.31
GUCY1B1 Q02153 3/20 0.31
RBP4 P02753 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL20939870 0.73 RBP4 (0.36) HDAC2ATRRBP4
SCHEMBL20704269 0.72 NR1H2 (0.41) HTR6ATRDRD2DRD1
SCHEMBL20703947 0.72 HSD17B3 (0.37) HTR6GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18376163 0.71 GUCY1B2 (0.38) HTR6GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL23066177 0.70 C5AR1 (0.37) HTR6GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL520464 0.69 DRD1 (0.35) DRD2DRD1
SCHEMBL20242603 0.69 ATR (0.35) HTR6ATRGUCY1B2GUCY1A2GUCY1A1
SCHEMBL16961694 0.68 ABHD6 (0.37)
SCHEMBL18379228 0.68 PDE1B (0.34) HTR6
SCHEMBL18368367 0.68 EGFR (0.36) HTR6GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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 HDAC2 734/4885HTR6 4826/4885ATR 687/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB HDAC2 741/4885HTR6 4819/4885ATR 462/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 HDAC2 734/4885HTR6 4826/4885ATR 687/4885

“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.