SCHEMBL18080751

SCHEMBL18080751

[2H]C([2H])([2H])C(O)(C#Cc1cc2c(cn1)c(C1CCN(CCC(F)(F)F)CC1)cn2-c1nc(N)ncc1F)C([2H])([2H])[2H]

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 10/20 0.51
CAMK2D Q13557 1/20 0.32
MAP3K14 Q99558 5/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
TTBK2 Q6IQ55 1/20 0.30
CHUK O15111 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
SCHEMBL20306070 0.95 TTBK1 (0.57) TTBK1CAMK2DMAP3K14WNT1GSK3B
SCHEMBL16610201 0.90 TTBK1 (0.49) TTBK1CAMK2DMAP3K14WNT1GSK3B
SCHEMBL16610214 0.88 TTBK1 (0.60) TTBK1MAP3K14WNT1GSK3BDYRK1A
SCHEMBL18080750 0.87 TTBK1 (0.70) TTBK1CAMK2DMAP3K14TTBK2
SCHEMBL16610271 0.84 TTBK1 (0.63) TTBK1MAP3K14CHUK
SCHEMBL16610345 0.83 TTBK1 (0.52) TTBK1MAP3K14TTBK2
SCHEMBL16610281 0.82 TTBK1 (0.36) TTBK1CAMK2DWNT1GSK3BDYRK1A
SCHEMBL21880207 0.81 TTBK1 (0.50) TTBK1MAP3K14TTBK2
SCHEMBL20306071 0.81 TTBK1 (0.79) TTBK1CAMK2DMAP3K14TTBK2CHUK
SCHEMBL16610212 0.81 TTBK1 (0.49) TTBK1MAP3K14TTBK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160257679-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K12 TTBK1 558/4885CAMK2D 406/4885MAP3K14 1/4885

“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.