SCHEMBL16336702

SCHEMBL16336702

COC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)c2cc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 6/20 0.49
▸ JAK2 O60674 5/20 0.49
▸ TYK2 P29597 4/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ BTK Q06187 2/20 0.47
▸ PDE4B Q07343 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ EED O75530 1/20 0.41
▸ RBBP4 Q09028 1/20 0.41
▸ SUZ12 Q15022 1/20 0.41
▸ EZH2 Q15910 1/20 0.41
▸ AEBP2 Q6ZN18 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ HSD11B1 P28845 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL16382749 0.90 BTK (0.48) JAK1JAK2TYK2JAK3BTK
SCHEMBL28321329 0.90 BTK (0.48) JAK1JAK2TYK2JAK3BTK
SCHEMBL28055972 0.85 JAK2 (0.49) JAK1JAK2TYK2JAK3BTK
SCHEMBL16336147 0.84 BTK (0.56) JAK1JAK2TYK2JAK3BTK
SCHEMBL16336487 0.84 BTK (0.67) JAK1JAK2BTK
SCHEMBL16336601 0.80 EED (0.43) JAK1JAK2TYK2JAK3PDE4B
SCHEMBL21370556 0.80 EED (0.43) JAK1JAK2TYK2JAK3PDE4B
SCHEMBL4688542 0.79 IKBKB (0.50) BTKHPGDSUSP30HSD11B1
SCHEMBL30505261 0.79 EED (0.48) JAK1JAK2PDE4BEEDRBBP4
SCHEMBL14862490 0.79 EED (0.48) JAK1JAK2PDE4BEEDRBBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 — — EP disclosed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 — — EP disclosed
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 — — US disclosed
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 — — US disclosed
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2019-09-19 — — US disclosed
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2019-09-19 — — US disclosed
EP-3483167-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2019-05-15 — — EP disclosed
EP-3483167-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2019-05-15 — — EP disclosed
EP-3013337-B1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC (US) 2018-10-31 — — EP disclosed
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 — — US disclosed
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 — — US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 — — US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 — — US disclosed
EP-3013337-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS Abbvie Inc. (US) 2016-05-04 — — EP disclosed
CN-105530932-A Primary carboxamides as BIK inhibitors ABBVIE INC 2016-04-27 — — CN disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 — — US disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 — — US disclosed
WO-2014210255-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2014-12-31 — — WO disclosed
WO-2014210255-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2014-12-31 — — WO 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-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 JAK1 18/4885JAK2 7/4885TYK2 10/4885
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 JAK1 18/4885JAK2 7/4885TYK2 10/4885
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 JAK1 18/4885JAK2 7/4885TYK2 10/4885
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 JAK1 18/4885JAK2 7/4885TYK2 10/4885

“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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