SCHEMBL18488448

SCHEMBL18488448

Clc1ncc(Cl)c(NCCc2c(Cl)cccc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
STK17A Q9UEE5 10/20 0.43
STK17B O94768 8/20 0.43
JAK2 O60674 1/20 0.40
SRC P12931 1/20 0.40
TNK2 Q07912 1/20 0.40
ALK Q9UM73 1/20 0.40
APP P05067 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
PDE10A Q9Y233 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL18440270 0.90 JAK2 (0.49) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL29556741 0.90 JAK2 (0.49) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL18488449 0.85 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL18488672 0.83 MEN1 (0.50) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL18488360 0.81 APP (0.60) STK17ASTK17BJAK2APPCYP2D6
SCHEMBL29555879 0.81 APP (0.60) STK17ASTK17BJAK2APPCYP2D6
SCHEMBL18488325 0.79 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL18488976 0.78 CYP1A2 (0.53) APPTAAR1CYP2C19CYP1A2ALDH1A1
SCHEMBL18493897 0.77 STK17B (0.43) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL20421838 0.77 CCND3 (0.53) STK17ASTK17BSRCTAAR1CYP2D6

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 HDAC3 1024/4885HDAC1 805/4885HDAC2 856/4885
US-20180215738-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 HDAC3 1024/4885HDAC1 805/4885HDAC2 856/4885

“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.