SCHEMBL20550920

SCHEMBL20550920

CC(c1ncc2c(Cl)nccn12)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ ABCB1 P08183 2/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ ALKBH1 Q13686 2/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ ATP4A P20648 1/20 0.36
▸ ATP4B P51164 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL18849864 1.00 POLB (0.41) POLBABCB1CTSLCTSBCTSS
SCHEMBL18849869 0.82 POLB (0.39) POLBABCB1CTSLCTSBCTSS
SCHEMBL20550620 0.82 POLB (0.39) POLBABCB1CTSLCTSBCTSS
SCHEMBL22326415 0.78 KMT2A (0.37) POLBRXFP1
SCHEMBL18849710 0.75 BTK (0.41) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL20550691 0.75 BTK (0.41) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL28611168 0.70 POLB (0.44) POLBABCB1CTSLCTSBCTSS
SCHEMBL2323323 0.69 OPRD1 (0.43) POLB
SCHEMBL8276259 0.69 ABCB1 (0.56) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL18849866 0.68 POLB (0.42) POLBABCB1CTSLCTSBCTSS

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-11110088-B2 Imidazopyrazine inhibitors of Bruton's tyrosine kinase ACERTA PHARMA B.V. (NL) 2021-09-07 — — US disclosed
EP-3865485-A1 IMIDAZOPYRAZINE INHIBITORS OF BRUTON'S TYROSINE KINASE Acerta Pharma B.V. (NL) 2021-08-18 — — EP disclosed
US-20200330461-A1 Imidazopyrazine Inhibitors of Bruton's Tyrosine Kinase ACERTA PHARMA B.V. (NL) 2020-10-22 — — US disclosed
US-10736893-B2 Imidazopyrazine inhibitors of Bruton's tyrosine kinase ACERTA PHARMA B.V. (NL) 2020-08-11 — — US disclosed
US-20180318297-A1 Imidazopyrazine Inhibitors of Bruton's Tyrosine Kinase ACERTA PHARMA B.V. (NL) 2018-11-08 — — 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-10736893-B2 Imidazopyrazine inhibitors of Bruton's tyrosine kinase BTK, LCK, SYK POLB 2643/4885ABCB1 1973/4885CTSL 4223/4885
US-20200330461-A1 Imidazopyrazine Inhibitors of Bruton's Tyrosine Kinase BTK, LCK, SYK POLB 2643/4885ABCB1 1973/4885CTSL 4223/4885
US-20180318297-A1 Imidazopyrazine Inhibitors of Bruton's Tyrosine Kinase BTK, LCK, SYK POLB 2643/4885ABCB1 1973/4885CTSL 4223/4885
US-11110088-B2 Imidazopyrazine inhibitors of Bruton's tyrosine kinase BTK, LCK, SYK POLB 2643/4885ABCB1 1973/4885CTSL 4223/4885

“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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