SCHEMBL18488284

SCHEMBL18488284

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(NC[C@H]2CCCO2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 11/20 1.00
ALK Q9UM73 9/20 1.00
SRC P12931 5/20 1.00
JAK2 O60674 4/20 1.00
ROS1 P08922 2/20 0.74
CHEK1 O14757 1/20 0.74
ABL1 P00519 1/20 0.74
LCK P06239 1/20 0.74
FGFR1 P11362 1/20 0.74
TYK2 P29597 1/20 0.74
INSR P06213 4/20 0.61
LRRK2 Q5S007 1/20 0.59
IGF1R P08069 3/20 0.59
EGFR P00533 2/20 0.58
JAK3 P52333 1/20 0.58

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
SCHEMBL24255339 0.93 TNK2 (0.87) TNK2ALKSRCJAK2ROS1
SCHEMBL16453379 0.93 TNK2 (0.86) TNK2ALKSRCJAK2ROS1
SCHEMBL24255302 0.87 ALK (0.77) TNK2ALKSRCJAK2INSR
SCHEMBL24255341 0.85 TNK2 (0.82) TNK2ALKSRCJAK2ROS1
SCHEMBL26270588 0.85 TNK2 (0.82) TNK2ALKSRCJAK2ROS1
SCHEMBL16447661 0.85 TNK2 (1.00) TNK2ALKSRCJAK2ROS1
SCHEMBL30527283 0.85 TNK2 (1.00) TNK2ALKSRCJAK2ROS1
SCHEMBL16447760 0.85 TNK2 (1.00) TNK2ALKSRCJAK2ROS1
SCHEMBL16447662 0.85 TNK2 (1.00) TNK2ALKSRCJAK2ROS1
SCHEMBL26270554 0.85 TNK2 (0.82) TNK2ALKSRCJAK2ROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336734-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-07-02 US disclosed
US-10336734-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-07-02 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-20180215738-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
WO-2017023899-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2017-02-09 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 (2 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-10336734-B2 Inhibitors of ACK1/TNK2 tyrosine kinase TNK1, TNNI3K, TNK2 TNK2 3/4885ALK 372/4885SRC 380/4885
US-20180215738-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 TNK2 3/4885ALK 372/4885SRC 380/4885

“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.