SCHEMBL20092136

SCHEMBL20092136

CSc1cc(C2=CCOCC2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ BACE1 P56817 4/20 0.40
▸ IKBKE Q14164 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PIK3CD O00329 6/20 0.36
▸ PIK3CA P42336 6/20 0.36
▸ PIK3CB P42338 5/20 0.36
▸ PIK3CG P48736 5/20 0.36
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ FABP7 O15540 3/20 0.34
▸ PIK3R1 P27986 2/20 0.34
▸ FABP5 Q01469 2/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ FABP3 P05413 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
SCHEMBL23092185 0.77 BACE1 (0.42) AAK1HTR1DBACE1IKBKETBK1
SCHEMBL14720958 0.77 BACE1 (0.42) AAK1HTR1DBACE1IKBKETBK1
SCHEMBL23105031 0.77 BACE1 (0.42) AAK1HTR1DBACE1IKBKETBK1
SCHEMBL15507834 0.77 ALDH1A1 (0.54) AAK1HTR1DBACE1IKBKETBK1
SCHEMBL20092397 0.74 HTR1D (0.39) AAK1HTR1DBACE1IKBKETBK1
SCHEMBL14320398 0.73 BACE1 (0.42) AAK1HTR1DBACE1IKBKETBK1
SCHEMBL11528651 0.73 AAK1 (0.50) AAK1KCNH2
SCHEMBL26560458 0.73 HTR1D (0.43) AAK1HTR1DBACE1IKBKETBK1
SCHEMBL8651066 0.72 KMT2A (0.56) BACE1IKBKETBK1FABP7FABP5
SCHEMBL31094848 0.71 MAPT (0.57) HTR1DBACE1IKBKETBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 — — US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 — — US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 — — US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 — — US disclosed
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 — — 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 (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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 AAK1 146/4885HTR1D 4076/4885BACE1 4408/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 AAK1 146/4885HTR1D 4076/4885BACE1 4408/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 AAK1 146/4885HTR1D 4076/4885BACE1 4408/4885

“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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