SCHEMBL18488173

SCHEMBL18488173

CN1CCN(c2ccc(Nc3ncc(Cl)c(NCC4CCCC4)n3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 7/20 0.75
ALK Q9UM73 2/20 0.75
CHEK1 O14757 1/20 0.75
JAK2 O60674 1/20 0.75
ABL1 P00519 1/20 0.75
LCK P06239 1/20 0.75
ROS1 P08922 1/20 0.75
FGFR1 P11362 1/20 0.75
SRC P12931 1/20 0.75
TYK2 P29597 1/20 0.75
NTRK1 P04629 1/20 0.62
CCNK O75909 2/20 0.60
CCNA2 P20248 2/20 0.60
CDK2 P24941 2/20 0.60
CCND3 P30281 2/20 0.60
CDK9 P50750 2/20 0.60
CDK6 Q00534 2/20 0.60
SYK P43405 1/20 0.60
BRD4 O60885 8/20 0.59

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
SCHEMBL24255222 0.92 TNK2 (0.75) TNK2ALKCHEK1JAK2ABL1
SCHEMBL26270096 0.89 TNK2 (0.70) TNK2ALKCHEK1JAK2ABL1
SCHEMBL12065167 0.88 SYK (0.60) TNK2ALKCHEK1JAK2ABL1
SCHEMBL18488966 0.88 TNK2 (0.72) TNK2ALKCHEK1JAK2ABL1
SCHEMBL18489009 0.87 TNK2 (0.95) TNK2ALKCHEK1JAK2ABL1
Hydrochloric Acid SCHEMBL20421851 0.86 TNK2 (0.93) TNK2ALKCHEK1JAK2ABL1
SCHEMBL16447662 0.85 TNK2 (1.00) TNK2ALKCHEK1JAK2ABL1
SCHEMBL16447661 0.85 TNK2 (1.00) TNK2ALKCHEK1JAK2ABL1
SCHEMBL16447760 0.85 TNK2 (1.00) TNK2ALKCHEK1JAK2ABL1
SCHEMBL18440831 0.85 TNK2 (0.69) TNK2ALKCHEK1JAK2ABL1

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 372/4885CHEK1 113/4885
US-20180215738-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 TNK2 3/4885ALK 372/4885CHEK1 113/4885

“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.