SCHEMBL16593240

SCHEMBL16593240

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.46
▸ AAK1 Q2M2I8 2/20 0.45
▸ PSEN1 P49768 2/20 0.42
▸ PSEN2 P49810 2/20 0.42
▸ APH1B Q8WW43 2/20 0.42
▸ NCSTN Q92542 2/20 0.42
▸ APH1A Q96BI3 2/20 0.42
▸ PSENEN Q9NZ42 2/20 0.42
▸ WNT3A P56704 5/20 0.41
▸ BTK Q06187 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MAP2K4 P45985 1/20 0.41
▸ MAPKAPK2 P49137 1/20 0.41
▸ MAPKAPK3 Q16644 1/20 0.41
▸ MAPK6 Q16659 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39

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
SCHEMBL19997549 0.85 DYRK1A (0.47) DYRK1AAAK1PSEN1PSEN2APH1B
SCHEMBL24767561 0.84 AAK1 (0.48) DYRK1AAAK1WNT3APDK2MAP4K4
SCHEMBL29393867 0.84 AAK1 (0.48) DYRK1AAAK1PSEN1PSEN2APH1B
SCHEMBL16606159 0.84 AAK1 (0.48) DYRK1AAAK1PSEN1PSEN2APH1B
Bromide SCHEMBL16593406 0.83 AAK1 (0.47) DYRK1AAAK1PSEN1PSEN2APH1B
Bicarbonate SCHEMBL28852218 0.81 AAK1 (0.44) DYRK1AAAK1PSEN1PSEN2APH1B
SCHEMBL13036114 0.78 DYRK1A (0.53) DYRK1AAAK1PSEN1PSEN2APH1B
SCHEMBL22001270 0.75 MAP4K4 (0.50) DYRK1AAAK1PSEN1PSEN2APH1B
SCHEMBL22886739 0.75 DYRK1A (0.50) DYRK1AAAK1PSEN1PSEN2APH1B
SCHEMBL1896511 0.74 DYRK1A (0.65) DYRK1APSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 — — EP disclosed
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 — — EP disclosed
EP-3052496-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2018-11-28 — — EP disclosed
US-10072005-B2 4-azaindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-09-11 — — 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-20160244445-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-25 — — US disclosed
EP-3052496-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2016-08-10 — — EP disclosed
WO-2015049574-A1 4-AZAINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-09 — — WO 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 (4 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-10072005-B2 4-azaindole derivatives CHRM1, CHRM4, CHRM2 DYRK1A 523/4885AAK1 770/4885PSEN1 58/4885
US-20160244445-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 DYRK1A 523/4885AAK1 770/4885PSEN1 58/4885
US-20180208593-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 DYRK1A 523/4885AAK1 770/4885PSEN1 58/4885
US-20150094328-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 DYRK1A 523/4885AAK1 770/4885PSEN1 58/4885

“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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