SCHEMBL14636998

SCHEMBL14636998

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.41
▸ TEC P42680 7/20 0.41
▸ TXK P42681 7/20 0.41
▸ BMX P51813 7/20 0.41
▸ EGFR P00533 3/20 0.41
▸ ITK Q08881 2/20 0.40
▸ TNK2 Q07912 6/20 0.38
▸ RET P07949 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ LCK P06239 1/20 0.38
▸ SRC P12931 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ RAF1 P04049 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
SCHEMBL20550691 0.81 BTK (0.41) BTKTECTXKBMXEGFR
SCHEMBL14636369 0.80 BTK (0.42) BTKTECTXKBMXEGFR
SCHEMBL28623986 0.80 BTK (0.42) BTKTECTXKBMXEGFR
SCHEMBL18099733 0.80 ABL1 (0.53) BTKTNK2RETKDRSRC
SCHEMBL14637033 0.79 BTK (0.36) BTKTNK2RETKDRSRC
SCHEMBL18849709 0.79 TNK2 (0.41) BTKTECTXKBMXEGFR
SCHEMBL18849914 0.78 ABL1 (0.43) BTKTNK2RETKDRSRC
SCHEMBL18849916 0.78 ABL1 (0.43) BTKTNK2RETKDRSRC
SCHEMBL31330580 0.74 TNK2 (0.40) BTKTNK2
SCHEMBL20550584 0.70 ATM (0.47) BTKTNK2

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 19 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-20160159810-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2016-06-09 — — 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 (9 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 1/4885TEC 13/4885TXK 183/4885
US-10934296-B2 4-imidazopyridazin-1-yl-benzamides as Btk inhibitors BTK, SYK, ABL1 BTK 1/4885TEC 13/4885TXK 183/4885
US-20160159810-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, ABL1, SYK BTK 1/4885TEC 16/4885TXK 214/4885
US-20160151364-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, ABL1, SYK BTK 1/4885TEC 16/4885TXK 214/4885
US-20210230166-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 BTK 1/4885TEC 13/4885TXK 183/4885
US-10239883-B2 4-imidazopyridazin-1-yl-benzamides as BTK inhibitors BTK, SYK, ABL1 BTK 1/4885TEC 13/4885TXK 183/4885
US-20190276456-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 BTK 1/4885TEC 13/4885TXK 183/4885
US-20140155385-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, ABL1, SYK BTK 1/4885TEC 14/4885TXK 195/4885
US-20230331729-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 BTK 1/4885TEC 13/4885TXK 183/4885

“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.

Send feedback