SCHEMBL20581035

SCHEMBL20581035

COc1cc2c(cc1COCCN1CCCC1)[nH]c1ccncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ BRD2 P25440 1/20 0.44
▸ BRD3 Q15059 1/20 0.44
▸ EHMT2 Q96KQ7 3/20 0.40
▸ EHMT1 Q9H9B1 3/20 0.40
▸ TLR8 Q9NR97 2/20 0.40
▸ TLR7 Q9NYK1 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ PLK4 O00444 1/20 0.37
▸ GAK O14976 1/20 0.37
▸ EPHB6 O15197 1/20 0.37
▸ RIPK2 O43353 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ STK10 O94804 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37

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
SCHEMBL23784345 0.85 EHMT2 (0.48) ACHEBRD4BRD2BRD3EHMT2
SCHEMBL20581185 0.84 KDM4E (0.40) EHMT2EHMT1TLR8TLR7KDM4E
Hydrochloric Acid SCHEMBL20581217 0.84 EHMT2 (0.47) ACHEBRD4BRD2BRD3EHMT2
SCHEMBL20580883 0.84 EHMT2 (0.55) EHMT2EHMT1PLK4GAKEPHB6
Hydrochloric Acid SCHEMBL20581131 0.83 EHMT2 (0.54) EHMT2EHMT1KDM4EALDH1A1HSD17B10
SCHEMBL23784352 0.82 EHMT2 (0.53) ACHEBRD4BRD2BRD3EHMT2
SCHEMBL20581270 0.82 EHMT2 (0.43) ACHEBRD4BRD2BRD3EHMT2
Hydrochloric Acid SCHEMBL20580862 0.81 EHMT2 (0.53) ACHEBRD4BRD2BRD3EHMT2
SCHEMBL20581727 0.80 EHMT2 (0.41) ACHEEHMT2EHMT1TDP1PLK4
SCHEMBL20580708 0.77 L3MBTL1 (0.44) ACHEEHMT2EHMT1KDM4EALDH1A1

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-3634962-B1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-24 — — EP disclosed
EP-3634962-B1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-24 — — EP disclosed
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2021-12-02 — — US disclosed
US-11111243-B2 Azaindole compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-09-07 — — US disclosed
US-11111243-B2 Azaindole compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-09-07 — — US disclosed
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-12-13 — — 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-11111243-B2 Azaindole compounds as histone methyltransferase inhibitors EHMT2, EHMT1, EZH2 ACHE 1400/4885BRD4 601/4885BRD2 267/4885
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 ACHE 1400/4885BRD4 601/4885BRD2 267/4885
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 ACHE 1400/4885BRD4 601/4885BRD2 267/4885

“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.

Send feedback