SCHEMBL16606145

SCHEMBL16606145

Cc1cc(-c2ccc(C(C)C)c(F)c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.49
DYRK1A Q13627 4/20 0.47
TLR8 Q9NR97 5/20 0.41
TLR7 Q9NYK1 5/20 0.41
TLR9 Q9NR96 3/20 0.41
CLK1 P49759 3/20 0.41
MAP4K4 O95819 1/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
MAPK1 P28482 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL14570076 0.82 NAAA (0.43)
SCHEMBL13036114 0.79 DYRK1A (0.53) AAK1DYRK1AMAP4K4PSEN1PSEN2
SCHEMBL11994397 0.77 CLK4 (0.41) DYRK1A
SCHEMBL14570075 0.77 NAAA (0.39)
SCHEMBL22886739 0.76 DYRK1A (0.50) AAK1DYRK1AMAP4K4PSEN1PSEN2
SCHEMBL22001270 0.76 MAP4K4 (0.50) AAK1DYRK1ATLR8TLR7TLR9
SCHEMBL16606159 0.75 AAK1 (0.48) AAK1DYRK1AMAP4K4PSEN1PSEN2
SCHEMBL1896511 0.75 DYRK1A (0.65) DYRK1ACLK1MAP4K4PSEN1PSEN2
SCHEMBL30308690 0.75 DYRK1A (0.65) DYRK1ACLK1MAP4K4PSEN1PSEN2
SCHEMBL10022342 0.75 DYRK1A (0.58) AAK1DYRK1ATLR8TLR7TLR9

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
US-20180208593-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-07-26 US disclosed
US-20180208593-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-07-26 US disclosed
US-9926312-B2 4-azaindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-03-27 US disclosed
US-9926312-B2 4-azaindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-03-27 US disclosed
US-20160244445-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-25 US disclosed
US-20150094328-A1 4-Azaindole Derivatives EISAI R&D MAN CO LTD (JP) 2015-04-02 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-20160244445-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 AAK1 770/4885DYRK1A 523/4885TLR8 3953/4885
US-20180208593-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 AAK1 770/4885DYRK1A 523/4885TLR8 3953/4885
US-20150094328-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 AAK1 770/4885DYRK1A 523/4885TLR8 3953/4885

“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.