SCHEMBL17267632

SCHEMBL17267632

C=CC(=O)N[C@H]1CC[C@H](n2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.63
▸ EGFR P00533 6/20 0.63
▸ JAK3 P52333 3/20 0.63
▸ LCK P06239 3/20 0.63
▸ FYN P06241 2/20 0.63
▸ SRC P12931 2/20 0.63
▸ FER P16591 2/20 0.63
▸ BLK P51451 2/20 0.63
▸ ITK Q08881 2/20 0.63
▸ ABL1 P00519 1/20 0.63
▸ ERBB2 P04626 1/20 0.63
▸ YES1 P07947 1/20 0.63
▸ LYN P07948 1/20 0.63
▸ HCK P08631 1/20 0.63
▸ FGR P09769 1/20 0.63
▸ CSK P41240 1/20 0.63
▸ TEC P42680 1/20 0.63
▸ BMX P51813 1/20 0.63
▸ PTK6 Q13882 1/20 0.63
▸ ERBB4 Q15303 1/20 0.63

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
SCHEMBL17267631 1.00 BTK (0.63) BTKEGFRJAK3LCKFYN
SCHEMBL17235726 1.00 BTK (0.63) BTKEGFRJAK3LCKFYN
SCHEMBL17911444 0.94 EGFR (0.58) BTKEGFRJAK3LCKFYN
SCHEMBL17235735 0.94 EGFR (0.58) BTKEGFRJAK3LCKFYN
SCHEMBL22754105 0.88 BTK (0.64) BTKEGFRJAK3LCKFYN
SCHEMBL16594430 0.87 RET (0.68) BTKEGFRJAK3LCKFYN
SCHEMBL17267662 0.87 RET (0.68) BTKEGFRJAK3LCKFYN
SCHEMBL28423335 0.87 RET (0.68) BTKEGFRJAK3LCKFYN
Bicarbonate SCHEMBL27088025 0.83 RET (0.80) EGFRJAK3LCKFYNSRC
SCHEMBL14693563 0.81 BTK (0.77) BTKEGFRJAK3LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138842-B1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS ZHEJIANG DTRM BIOPHARMA CO LTD (CN) 2020-12-09 — — EP disclosed
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2019-05-28 — — US disclosed
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2018-07-26 — — US disclosed
US-9861636-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2018-01-09 — — US disclosed
EP-2947086-B1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2018-01-03 — — EP disclosed
US-20170065594-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2017-03-09 — — US disclosed
EP-3138842-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co., Ltd. (CN) 2017-03-08 — — EP disclosed
US-9580432-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-02-28 — — US disclosed
US-9532990-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2017-01-03 — — US disclosed
US-20160200730-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2016-07-14 — — US disclosed
US-20160115168-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-04-28 — — US disclosed
EP-2947086-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2015-11-25 — — EP 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 (5 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-20160200730-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN BTK 1/4885EGFR 206/4885JAK3 89/4885
US-20170065594-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN BTK 1/4885EGFR 206/4885JAK3 89/4885
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN BTK 1/4885EGFR 206/4885JAK3 89/4885
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors BTK, LCK, LYN BTK 1/4885EGFR 206/4885JAK3 89/4885
US-20160115168-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF BTK, JAK2, SYK BTK 1/4885EGFR 839/4885JAK3 12/4885

“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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