SCHEMBL16205750

SCHEMBL16205750

Nc1ncc(F)c(-c2cn(C3CCCNC3)c3cnc(Br)cc23)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.37
▸ ALOX5AP P20292 3/20 0.34
▸ FEN1 P39748 3/20 0.34
▸ CAMK2D Q13557 1/20 0.33
▸ CDK2 P24941 2/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CCNK O75909 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ MNAT1 P51948 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ PRKCI P41743 1/20 0.32

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
SCHEMBL16205596 0.94 HTR6 (0.36) HTR6
SCHEMBL16205737 0.90 MAP3K14 (0.31) —
SCHEMBL16205570 0.88 MAPK14 (0.36) —
SCHEMBL16205600 0.85 MAP3K14 (0.41) —
SCHEMBL16205562 0.82 MAP3K14 (0.44) ALOX5APFEN1
SCHEMBL16205749 0.82 MTOR (0.32) —
SCHEMBL16205385 0.81 CHUK (0.36) —
SCHEMBL16205376 0.81 PIK3CA (0.34) —
SCHEMBL16205347 0.80 MAP3K14 (0.43) HTR6
SCHEMBL16205391 0.80 MAP3K14 (0.37) HTR6CDK2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209662-B1 NEW COMPOUNDS AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 — — EP disclosed
US-10005776-B2 Compounds as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 — — US disclosed
US-10005776-B2 Compounds as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 — — US disclosed
US-20170334906-A1 NEW COMPOUNDS AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 — — US disclosed
US-20170334906-A1 NEW COMPOUNDS AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 — — US disclosed
US-9643964-B2 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-05-09 — — US disclosed
US-9643964-B2 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-05-09 — — US disclosed
US-20160075699-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-17 — — US disclosed
WO-2014174021-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2014-10-30 — — WO 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-10005776-B2 Compounds as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 HTR6 4836/4885ALOX5AP 1709/4885FEN1 3068/4885
US-20160075699-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER NFKBIA, IKBKG, MAP3K14 HTR6 4602/4885ALOX5AP 1392/4885FEN1 3287/4885
US-20170334906-A1 NEW COMPOUNDS AS NIK INHIBITORS MAP3K14, IKBKG, MAP3K15 HTR6 4839/4885ALOX5AP 1659/4885FEN1 3083/4885

“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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