SCHEMBL16610281

SCHEMBL16610281

Nc1ncc(F)c(-n2cc(C3CCN(CCC(F)(F)F)CC3)c3cnc(Br)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 3/20 0.36
CAMK2D Q13557 1/20 0.33
DRD2 P14416 2/20 0.32
SLC6A4 P31645 2/20 0.32
WNT1 P04628 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
HTR2B P41595 1/20 0.32
HTR3A P46098 1/20 0.32
HTR4 Q13639 1/20 0.32
HTR1A P08908 1/20 0.31
DRD4 P21917 1/20 0.31
HTR1B P28222 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL16610264 0.91 TTBK1 (0.36) TTBK1DRD2SLC6A4WNT1GSK3B
SCHEMBL18080763 0.91 TTBK1 (0.39) TTBK1
SCHEMBL16610285 0.89 TTBK1 (0.35) TTBK1DRD2SLC6A4WNT1GSK3B
SCHEMBL16610224 0.86 TTBK1 (0.39) TTBK1DRD2HTR1AHTR1B
SCHEMBL16610363 0.84 TTBK1 (0.53) TTBK1CAMK2DHTR1ADRD4HTR1B
SCHEMBL16610284 0.84 TTBK1 (0.41) TTBK1
SCHEMBL20306070 0.84 TTBK1 (0.57) TTBK1CAMK2DWNT1GSK3BDYRK1A
SCHEMBL18082011 0.83 KCNH2 (0.36) TTBK1WNT1GSK3BDYRK1AHTR1A
SCHEMBL18080751 0.82 TTBK1 (0.51) TTBK1CAMK2DWNT1GSK3BDYRK1A
SCHEMBL16610201 0.82 TTBK1 (0.49) TTBK1CAMK2DWNT1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071566-B1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-15 EP disclosed
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2016-09-08 US disclosed
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2016-09-08 US disclosed
WO-2015044267-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 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 (2 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-10005773-B2 1-(4-pyrimidinyl)-1H-pyrrolo[3,2-c]pyridine derivatives as NIK inhibitors MAP3K14, MAP3K15, MAP3K12 TTBK1 578/4885CAMK2D 447/4885DRD2 4613/4885
US-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 TTBK1 558/4885CAMK2D 406/4885DRD2 4534/4885

“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.