SCHEMBL14637033

SCHEMBL14637033

CN(C(=O)O)c1nc(Br)c2c(N)nccn12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.36
▸ TNK2 Q07912 14/20 0.35
▸ RET P07949 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ SRC P12931 1/20 0.32

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
SCHEMBL14636998 0.79 BTK (0.41) BTKTNK2RETKDRRAF1
SCHEMBL31330580 0.78 TNK2 (0.40) BTKTNK2
SCHEMBL14630510 0.77 BTK (0.48) BTKTNK2SRC
SCHEMBL31330631 0.74 TNK2 (0.39) BTKTNK2SRC
SCHEMBL23044547 0.72 BTK (0.48) BTKTNK2SRC
SCHEMBL31330542 0.72 RET (0.41) BTKTNK2RETKDR
SCHEMBL3540179 0.72 NUDT1 (0.36) BTKTNK2SRC
SCHEMBL28623986 0.71 BTK (0.42) BTKTNK2RETKDRSRC
SCHEMBL14636369 0.71 BTK (0.42) BTKTNK2RETKDRSRC
SCHEMBL17800082 0.70 TNK2 (0.38) TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331729-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME (NL) 2023-10-19 — — US disclosed
EP-4249076-A2 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR Merck Sharp & Dohme B.V. (NL) 2023-09-27 — — EP disclosed
EP-3495368-B1 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR MERCK SHARP & DOHME (NL) 2023-05-31 — — EP disclosed
EP-3689878-B1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK-INHIBITORS MERCK SHARP & DOHME (NL) 2021-10-06 — — EP disclosed
US-20210230166-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2021-07-29 — — US disclosed
US-10934296-B2 4-imidazopyridazin-1-yl-benzamides as Btk inhibitors MERCK SHARP & DOHME B.V. (NL) 2021-03-02 — — US disclosed
EP-3689878-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK-INHIBITORS Merck Sharp & Dohme B.V. (NL) 2020-08-05 — — EP disclosed
US-20190276456-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2019-09-12 — — US disclosed
EP-3495368-A1 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR Merck Sharp & Dohme B.V. (NL) 2019-06-12 — — EP disclosed
US-10239883-B2 4-imidazopyridazin-1-yl-benzamides as BTK inhibitors MERCK SHARP & DOHME B.V. (NL) 2019-03-26 — — US disclosed
US-20180179212-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2018-06-28 — — US disclosed
US-9790226-B2 4-imidazopyridazin-1-yl-benzamides and 4-imidazotriazin-1-yl-benzamides as BtK inhibitors MERCK SHARP & DOHME B.V. (NL) 2017-10-17 — — US disclosed
US-9758524-B2 4-imidazopyridazin-1-yl-benzamides as Btk inhibitors MERCK SHARP & DOHME B.V. (NL) 2017-09-12 — — US disclosed
US-20160151364-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2016-06-02 — — US disclosed
US-9290504-B2 4-imidazopyridazin-1-yl-benzamides and 4-imidazotriazin-1-yl-benzamides as Btk inhibitors MERCK SHARP & DOHME B.V. (NL) 2016-03-22 — — US disclosed
US-20140155385-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-06-05 — — US disclosed
EP-2734522-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS Merck Sharp & Dohme B.V. (NL) 2014-05-28 — — EP disclosed
WO-2013010868-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS MSD OSS B.V. (NL) 2013-01-24 — — 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-20180179212-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 BTK 1/4885TNK2 237/4885RET 518/4885
US-10934296-B2 4-imidazopyridazin-1-yl-benzamides as Btk inhibitors BTK, SYK, ABL1 BTK 1/4885TNK2 237/4885RET 518/4885
US-20160151364-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, ABL1, SYK BTK 1/4885TNK2 287/4885RET 715/4885
US-20210230166-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 BTK 1/4885TNK2 237/4885RET 518/4885
US-10239883-B2 4-imidazopyridazin-1-yl-benzamides as BTK inhibitors BTK, SYK, ABL1 BTK 1/4885TNK2 237/4885RET 518/4885
US-20190276456-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 BTK 1/4885TNK2 237/4885RET 518/4885
US-20140155385-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, ABL1, SYK BTK 1/4885TNK2 299/4885RET 704/4885
US-20230331729-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 BTK 1/4885TNK2 237/4885RET 518/4885

“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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