SCHEMBL16593271

SCHEMBL16593271

Cc1ccc(Cn2cc(I)c3ncccc32)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CHRM1 P11229 8/20 0.35
ADORA1 P30542 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CDK2 P24941 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL16593228 0.82 MAPK1 (0.50) HTTCYP11B1CYP11B2SMN1; SMN2CHRM1
SCHEMBL16593230 0.81 POLB (0.45) LMNAHTTSMN1; SMN2CHRM1KDM4E
SCHEMBL21043119 0.81 ALDH1A1 (0.42) GABRA1GABRA5LMNAHTTSMN1; SMN2
SCHEMBL16628260 0.80 CHRM1 (0.46) GABRA1GABRA5CHRM1
SCHEMBL22001177 0.80 POLB (0.48) GABRA1GABRA5LMNAHTTCHRM1
SCHEMBL16593480 0.78 CHRM1 (0.53) CHRM1
SCHEMBL16593257 0.77 POLB (0.42) LMNAHTTCYP11B1CYP11B2SMN1; SMN2
SCHEMBL16593586 0.77 TLR7 (0.38) LMNAHTTCYP11B1CYP11B2SMN1; SMN2
SCHEMBL16593312 0.75 CHRM1 (0.56) CHRM1KDM4EALDH1A1
SCHEMBL19779978 0.74 CHRM1 (0.42) HTTCYP11B1CYP11B2SMN1; SMN2CHRM1

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 GABRA1 115/4885GABRA5 114/4885LMNA 2281/4885
US-20160244445-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 GABRA1 115/4885GABRA5 114/4885LMNA 2281/4885
US-20180208593-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 GABRA1 115/4885GABRA5 114/4885LMNA 2281/4885
US-20150094328-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 GABRA1 115/4885GABRA5 114/4885LMNA 2281/4885

“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.