SCHEMBL3986244

SCHEMBL3986244

ClCc1ccc(Cl)cc1.[Zn]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.52
▸ LMNA P02545 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ TAAR1 Q96RJ0 2/20 0.48
▸ AGXT P21549 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CHRM2 P08172 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
SCHEMBL120896 0.97 — —
Phosphine SCHEMBL4870393 0.94 IDO1 (0.52) IDO1LMNACYP2A6TAAR1AGXT
Methane SCHEMBL28356057 0.94 IDO1 (0.52) IDO1LMNACYP2A6TAAR1AGXT
SCHEMBL4989141 0.94 IDO1 (0.52) IDO1LMNACYP2A6TAAR1AGXT
Hydrochloric Acid SCHEMBL11121998 0.94 IDO1 (0.52) IDO1LMNACYP2A6TAAR1AGXT
SCHEMBL8992968 0.88 IDO1 (0.48) IDO1LMNACYP2A6TAAR1AGXT
SCHEMBL2069301 0.88 MAOB (0.54) IDO1LMNACYP2A6TAAR1AGXT
SCHEMBL16663974 0.88 TAAR1 (0.56) IDO1LMNACYP2A6TAAR1AGXT
SCHEMBL28574743 0.84 RAB9A (0.52) IDO1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL97582 0.83 CA1 (0.52) IDO1TAAR1AGXTSLC6A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2021-01-07 — — US disclosed
US-10815213-B2 Bruton's tyrosine kinase inhibitors PFIZER INC. (US) 2020-10-27 — — US disclosed
US-20190202798-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2019-07-04 — — US disclosed
US-10266513-B2 Bruton's tyrosine kinase inhibitors PFIZER INC. (US) 2019-04-23 — — US disclosed
US-20170283393-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2017-10-05 — — US disclosed
CN-105008344-B Bruton's tyrosine kinase inhibitor 辉瑞公司 2017-07-25 — — CN disclosed
EP-2604260-B1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SHIONOGI & CO (JP) 2017-05-10 — — EP disclosed
EP-2914586-B1 BRUTON'S TYROSINE KINASE INHIBITORS PFIZER (US) 2017-04-05 — — EP disclosed
US-20160052892-A1 NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) SHIONOGI & CO (JP) 2016-02-25 — — US disclosed
US-9212130-B2 Heterocyclic derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2015-12-15 — — US disclosed
US-20150291554-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER (US) 2015-10-15 — — US disclosed
EP-2914586-A1 BRUTON'S TYROSINE KINASE INHIBITORS Pfizer Inc. (US) 2015-09-09 — — EP disclosed
CN-103492376-B Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LTD 2015-07-22 — — CN disclosed
CN-102480964-B Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME 2015-07-08 — — CN disclosed
WO-2014068527-A1 BRUTON'S TYROSINE KINASE INHIBITORS PFIZER INC. (US) 2014-05-08 — — WO disclosed
US-20130225596-A1 NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) SHIONOGI & CO., LTD. (JP) 2013-08-29 — — US disclosed
EP-2604260-A1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2013-06-19 — — EP disclosed
CN-102480964-A Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME 2012-05-30 — — CN disclosed
CN-101472899-A 2-substituted 4-benzylphthalazinone derivatives as histamine H1 and H3 antagonists GLAXO GROUP LTD (GB) 2009-07-01 — — CN disclosed
WO-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 — — 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 (8 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-10266513-B2 Bruton's tyrosine kinase inhibitors BTK, LCK, LYN IDO1 595/4885LMNA 4038/4885CYP2A6 2845/4885
US-20150291554-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN IDO1 715/4885LMNA 3981/4885CYP2A6 2723/4885
US-20160052892-A1 NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) P2RX3, P2RX6, P2RX2 IDO1 1701/4885LMNA 2851/4885CYP2A6 133/4885
US-20130225596-A1 NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) P2RX3, P2RX6, P2RX2 IDO1 1701/4885LMNA 2851/4885CYP2A6 133/4885
US-10815213-B2 Bruton's tyrosine kinase inhibitors BTK, LCK, LYN IDO1 697/4885LMNA 4047/4885CYP2A6 2248/4885
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN IDO1 697/4885LMNA 4047/4885CYP2A6 2248/4885
US-20170283393-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN IDO1 595/4885LMNA 4038/4885CYP2A6 2845/4885
US-20190202798-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, SYK IDO1 694/4885LMNA 4037/4885CYP2A6 2102/4885

“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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