SCHEMBL16453389

SCHEMBL16453389

Clc1ncc(Br)c(NCC2CCCO2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 13/20 0.60
IGF1R P08069 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
STAT1 P42224 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NLRP3 Q96P20 1/20 0.44
CHEK1 O14757 1/20 0.44
JAK2 O60674 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL16446197 0.86 TNK2 (0.58) TNK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL16445963 0.86 TNK2 (0.58) TNK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL16445965 0.86 TNK2 (0.58) TNK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21460565 0.85 HPGD (0.50) TNK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21478068 0.85 HPGD (0.50) TNK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7262019 0.85 HPGD (0.50) TNK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL16446172 0.84 KMT2A (0.53) TNK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL18488972 0.83 TNK2 (0.54) TNK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL23620371 0.80 HCAR3 (0.53) TNK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4071077 0.79 KMT2A (0.42) TNK2IGF1RMEN1KMT2AJAK2

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 9 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
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 3/4885IGF1R 810/4885ALDH1A1 3704/4885
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase TNK1, TNNI3K, TNK2 TNK2 3/4885IGF1R 810/4885ALDH1A1 3704/4885
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 TNK2 3/4885IGF1R 810/4885ALDH1A1 3704/4885

“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.