SCHEMBL16445511

SCHEMBL16445511

O=C(O)CCC(=O)N1CCN(c2ccc(Nc3ncc(Br)c(NCC4CCCO4)n3)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 19/20 0.74
▸ CHEK1 O14757 1/20 0.60
▸ JAK2 O60674 1/20 0.60
▸ ABL1 P00519 1/20 0.60
▸ LCK P06239 1/20 0.60
▸ ROS1 P08922 1/20 0.60
▸ FGFR1 P11362 1/20 0.60
▸ SRC P12931 1/20 0.60
▸ TYK2 P29597 1/20 0.60
▸ ALK Q9UM73 1/20 0.60
▸ SYK P43405 1/20 0.48

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
SCHEMBL16453384 0.87 TNK2 (0.83) TNK2CHEK1JAK2ABL1LCK
SCHEMBL16453364 0.86 TNK2 (1.00) TNK2CHEK1JAK2ABL1LCK
SCHEMBL16453394 0.85 TNK2 (0.73) TNK2CHEK1JAK2ABL1LCK
SCHEMBL16447690 0.85 TNK2 (1.00) TNK2CHEK1JAK2ABL1LCK
SCHEMBL16445813 0.83 TNK2 (0.73) TNK2CHEK1JAK2ABL1LCK
SCHEMBL16447803 0.83 TNK2 (1.00) TNK2CHEK1JAK2ABL1LCK
SCHEMBL17838927 0.82 TNK2 (0.64) TNK2CHEK1JAK2ABL1LCK
SCHEMBL16445561 0.82 TNK2 (0.88) TNK2CHEK1JAK2ABL1LCK
SCHEMBL16445722 0.81 TNK2 (0.75) TNK2CHEK1JAK2ABL1LCK
SCHEMBL16453371 0.81 TNK2 (0.72) TNK2CHEK1JAK2ABL1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-07-10 — — US disclosed
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-07-10 — — US disclosed
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-07 — — US disclosed
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-07 — — US disclosed
US-9850216-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-12-26 — — US disclosed
US-9850216-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-12-26 — — US disclosed
US-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 — — US disclosed
US-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 — — US disclosed
EP-3030241-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. Lee Moffitt Cancer Center And Research Institute, Inc. (US) 2016-06-15 — — EP disclosed
WO-2015021149-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-02-12 — — WO disclosed
WO-2015021149-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-02-12 — — 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 (3 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-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 TNK2 3/4885CHEK1 137/4885JAK2 597/4885
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase TNK1, TNNI3K, TNK2 TNK2 3/4885CHEK1 137/4885JAK2 597/4885
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 TNK2 3/4885CHEK1 137/4885JAK2 597/4885

“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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