SCHEMBL18488672

SCHEMBL18488672

Clc1ncc(Cl)c(NCCc2ccccc2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TAAR1 Q96RJ0 3/20 0.47
HIF1A Q16665 2/20 0.45
GPR84 Q9NQS5 1/20 0.43
STK17A Q9UEE5 2/20 0.42
STK17B O94768 1/20 0.42
APP P05067 1/20 0.41
CCND3 P30281 1/20 0.41
CDK6 Q00534 1/20 0.41
PDE2A O00408 1/20 0.40
SRC P12931 2/20 0.40
ABL1 P00519 1/20 0.40
JAK2 O60674 1/20 0.39

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
SCHEMBL20421838 0.87 CCND3 (0.53) TAAR1HIF1AGPR84STK17ASTK17B
SCHEMBL18493897 0.87 STK17B (0.43) MEN1NPC1RAB9AKMT2AHDAC3
SCHEMBL30395436 0.87 CCND3 (0.53) TAAR1HIF1AGPR84STK17ASTK17B
SCHEMBL6267961 0.87 HDAC3 (0.48) MEN1NPC1RAB9AKMT2AHDAC3
SCHEMBL18488988 0.84 JAK2 (0.56) MEN1KMT2ATAAR1STK17ASTK17B
SCHEMBL18488448 0.83 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6TAAR1
SCHEMBL18488360 0.83 APP (0.60) NPC1RAB9AKMT2ASTK17ASTK17B
SCHEMBL29555879 0.83 APP (0.60) NPC1RAB9AKMT2ASTK17ASTK17B
SCHEMBL18488676 0.83 TAAR1 (0.46) MEN1NPC1RAB9AKMT2AHDAC3
SCHEMBL18488333 0.82 GPR84 (0.46) KMT2ATAAR1GPR84STK17ASTK17B

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 MEN1 2897/4885NPC1 4216/4885RAB9A 1307/4885
US-20180215738-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 MEN1 2897/4885NPC1 4216/4885RAB9A 1307/4885

“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.