SCHEMBL17267662

SCHEMBL17267662

Nc1ncnc2c1c(I)nn2[C@H]1CC[C@H](NC(=O)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 9/20 0.68
▸ KDR P35968 4/20 0.68
▸ LCK P06239 3/20 0.68
▸ JAK2 O60674 2/20 0.68
▸ FYN P06241 2/20 0.68
▸ SRC P12931 2/20 0.68
▸ FER P16591 2/20 0.68
▸ BLK P51451 2/20 0.68
▸ CDC7 O00311 1/20 0.68
▸ PLK4 O00444 1/20 0.68
▸ DYRK3 O43781 1/20 0.68
▸ PRKD3 O94806 1/20 0.68
▸ MAP4K4 O95819 1/20 0.68
▸ NTRK1 P04629 1/20 0.68
▸ INSR P06213 1/20 0.68
▸ CDK1 P06493 1/20 0.68
▸ ROS1 P08922 1/20 0.68
▸ PRKACA P17612 1/20 0.68
▸ RPS6KB1 P23443 1/20 0.68
▸ CDK2 P24941 1/20 0.68

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
SCHEMBL28423335 1.00 RET (0.68) RETKDRLCKJAK2FYN
SCHEMBL16594430 1.00 RET (0.68) RETKDRLCKJAK2FYN
SCHEMBL17911520 0.93 RET (0.62) RETKDRLCKJAK2FYN
SCHEMBL17911522 0.93 RET (0.62) RETKDRLCKJAK2FYN
Bicarbonate SCHEMBL27088025 0.89 RET (0.80) RETKDRLCKJAK2FYN
SCHEMBL17235726 0.87 BTK (0.63) RETKDRLCKJAK2FYN
SCHEMBL17267632 0.87 BTK (0.63) RETKDRLCKJAK2FYN
SCHEMBL17267631 0.87 BTK (0.63) RETKDRLCKJAK2FYN
SCHEMBL21292635 0.86 JAK3 (0.60) RETKDRLCKJAK2FYN
SCHEMBL21292738 0.86 JAK3 (0.60) RETKDRLCKJAK2FYN

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 10 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-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
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 (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-20160200730-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN RET 259/4885KDR 674/4885LCK 2/4885
US-20170065594-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN RET 259/4885KDR 674/4885LCK 2/4885
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN RET 259/4885KDR 674/4885LCK 2/4885
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors BTK, LCK, LYN RET 259/4885KDR 674/4885LCK 2/4885

“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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