SCHEMBL13860104

SCHEMBL13860104

N#C/C(=C/C1CC1)C(=O)NCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 1.00
▸ EGFR P00533 1/20 0.66
▸ LCK P06239 1/20 0.66
▸ JAK3 P52333 1/20 0.66
▸ ITK Q08881 1/20 0.66

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
SCHEMBL13860105 1.00 BTK (1.00) BTKEGFRLCKJAK3ITK
SCHEMBL15517929 0.89 BTK (0.81) BTK
SCHEMBL15517927 0.89 BTK (0.81) BTK
SCHEMBL13860157 0.88 BTK (1.00) BTK
SCHEMBL13860158 0.88 BTK (1.00) BTK
SCHEMBL13860304 0.85 BTK (1.00) BTKEGFRLCKJAK3ITK
SCHEMBL13861382 0.85 BTK (1.00) BTKEGFRLCKJAK3ITK
SCHEMBL18533074 0.85 BTK (0.74) BTKEGFRLCKJAK3ITK
SCHEMBL16492384 0.83 BTK (0.87) BTK
SCHEMBL16492385 0.83 BTK (0.87) BTK

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PRINCIPIA BIOPHARMA INC. 2016-02-18 — — US claimed
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 — — US claimed
US-20150182530-A1 TREATMENT OF DRY EYE PRINCIPIA BIOPHARMA INC. (US) 2015-07-02 — — US claimed
WO-2014022569-A1 TREATMENT OF DRY EYE PRINCIPIA BIOPHARMA INC. (US) 2014-02-06 — — WO claimed
US-10946008-B2 Treatment of pemphigus PRINCIPIA BIOPHARMA INC. (US) 2021-03-16 — — US disclosed
US-20200101059-A1 TREATMENT OF PEMPHIGUS PRINCIPIA BIOPHARMA INC. (US) 2020-04-02 — — US disclosed
US-10485797-B2 Treatment of pemphigus PRINCIPIA BIOPHARMA INC. (US) 2019-11-26 — — US disclosed
US-20180050027-A1 TREATMENT OF PEMPHIGUS PRINCIPIA BIOPHARMA INC. 2018-02-22 — — US disclosed
US-9572811-B2 Treatment of dry eye PRINCIPIA BIOPHARMA INC. (US) 2017-02-21 — — US disclosed
EP-2710005-B1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2016-10-05 — — EP disclosed
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PRINCIPIA BIOPHARMA INC. 2016-02-18 — — US disclosed
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 — — US disclosed
US-20140309223-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-16 — — US disclosed
US-20140303161-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. 2014-10-09 — — US disclosed
US-20140303190-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-09 — — US disclosed
US-8759358-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-06-24 — — US disclosed
EP-2710005-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2014-03-26 — — EP disclosed
US-8673925-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-03-18 — — US disclosed
WO-2014022569-A1 TREATMENT OF DRY EYE PRINCIPIA BIOPHARMA INC. (US) 2014-02-06 — — WO disclosed
WO-2012158764-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 — — 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 (10 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-20150353557-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885EGFR 21/4885LCK 10/4885
US-20140303161-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885EGFR 21/4885LCK 10/4885
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PTMS, SSB, HDAC6 BTK 156/4885EGFR 3358/4885LCK 259/4885
US-20140303190-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885EGFR 21/4885LCK 10/4885
US-20200101059-A1 TREATMENT OF PEMPHIGUS BTK, PRKACA, PRKDC BTK 1/4885EGFR 628/4885LCK 9/4885
US-20180050027-A1 TREATMENT OF PEMPHIGUS BTK, PRKACA, PRKDC BTK 1/4885EGFR 708/4885LCK 9/4885
US-20140309223-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885EGFR 21/4885LCK 10/4885
US-10946008-B2 Treatment of pemphigus BTK, PRKACA, PRKDC BTK 1/4885EGFR 708/4885LCK 9/4885
US-20150182530-A1 TREATMENT OF DRY EYE BTK, SYK, LYN BTK 1/4885EGFR 128/4885LCK 4/4885
US-10485797-B2 Treatment of pemphigus BTK, PRKACA, PRKDC BTK 1/4885EGFR 708/4885LCK 9/4885

“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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