SCHEMBL20939170

SCHEMBL20939170

Cc1ncc(Cc2cnc[nH]2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.52
▸ HRH4 Q9H3N8 5/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HRH1 P35367 2/20 0.50
▸ ADRA1D P25100 6/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MIF P14174 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HRH2 P25021 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2708549 0.83 HRH4 (0.67) HRH3HRH4MAPTMEN1ALDH1A1
SCHEMBL8963903 0.71 HRH3 (0.73) HRH3HRH4MAPTMEN1ALDH1A1
SCHEMBL889061 0.71 — —
SCHEMBL889370 0.70 — —
SCHEMBL2626827 0.69 AOC3 (0.62) HRH3HRH4HRH1TAAR1TSHR
SCHEMBL906338 0.69 — —
SCHEMBL12685100 0.69 — —
SCHEMBL889085 0.69 — —
SCHEMBL889023 0.69 — —
SCHEMBL17269662 0.68 CYP2A6 (0.46) HRH4MAPTALDH1A1HRH1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236084-B2 Substituted azaindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2022-02-01 — — US disclosed
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 — — US disclosed
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 — — US disclosed
US-20210188840-A1 NEW SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 — — US disclosed
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-05-11 — — US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 — — US disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 — — US 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 (8 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 HRH3 3008/4885HRH4 3320/4885MAPT 3039/4885
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB HRH3 2809/4885HRH4 2521/4885MAPT 3591/4885
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG HRH3 2959/4885HRH4 2755/4885MAPT 3507/4885
US-11236084-B2 Substituted azaindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 HRH3 2343/4885HRH4 2344/4885MAPT 2978/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB HRH3 2658/4885HRH4 2387/4885MAPT 3137/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG HRH3 3005/4885HRH4 3066/4885MAPT 3533/4885
US-20210188840-A1 NEW SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, MAP3K14 HRH3 2438/4885HRH4 2042/4885MAPT 2585/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 HRH3 3008/4885HRH4 3320/4885MAPT 3039/4885

“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.

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