SCHEMBL17855980

SCHEMBL17855980

COc1cc2c(Nc3cc(C)c(Cl)cc3Cl)c(C#N)cnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.88
ABL1 P00519 4/20 0.88
BCR P11274 4/20 0.88
FYN P06241 2/20 0.88
WEE2 P0C1S8 2/20 0.88
WEE1 P30291 2/20 0.88
PKMYT1 Q99640 2/20 0.88
KCNH2 Q12809 2/20 0.88
STK25 O00506 1/20 0.88
CIT O14578 1/20 0.88
RIOK3 O14730 1/20 0.88
MAP2K7 O14733 1/20 0.88
CHEK1 O14757 1/20 0.88
CASK O14936 1/20 0.88
GAK O14976 1/20 0.88
EPHB6 O15197 1/20 0.88
MAP3K13 O43283 1/20 0.88
MAP3K7 O43318 1/20 0.88
RIPK2 O43353 1/20 0.88
NUAK1 O60285 1/20 0.88

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
SCHEMBL23746826 0.94 SRC (0.88) SRCABL1BCRFYNWEE2
Bosutinib SCHEMBL2887945 0.94 SRC (1.00) SRCABL1BCRFYNWEE2
Bosutinib SCHEMBL29389315 0.94 SRC (1.00) SRCABL1BCRFYNWEE2
Bosutinib SCHEMBL29428159 0.94 SRC (1.00) SRCABL1BCRFYNWEE2
Bosutinib SCHEMBL29350234 0.94 SRC (1.00) SRCABL1BCRFYNWEE2
Bosutinib SCHEMBL19207253 0.94 SRC (1.00) SRCABL1BCRFYNWEE2
Bosutinib SCHEMBL158390 0.94 SRC (1.00) SRCABL1BCRFYNWEE2
Bosutinib SCHEMBL19207270 0.92 SRC (0.97) SRCABL1BCRFYNWEE2
SCHEMBL10102563 0.91 SRC (0.89) SRCABL1BCRFYNWEE2
SCHEMBL13197902 0.91 SRC (0.85) SRCABL1BCRFYNWEE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303499-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE NATIONAL INSTITUTES OF HEALTH 2023-09-28 US disclosed
US-20180215738-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 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-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

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-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 SRC 415/4885ABL1 272/4885BCR 1209/4885
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase TNK1, TNNI3K, TNK2 SRC 415/4885ABL1 272/4885BCR 1209/4885
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 SRC 415/4885ABL1 272/4885BCR 1209/4885
US-20230303499-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNK2, TNNI3K SRC 300/4885ABL1 224/4885BCR 931/4885
US-20180215738-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 SRC 380/4885ABL1 252/4885BCR 1217/4885

“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.