Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2844936

Cc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OC(C)c1c(Cl)ccc(F)c1Cl.[Cl-].[H+]

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.82
MAP4K2 Q12851 1/20 0.46
MAP3K1 Q13233 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
Q6ZSR9 Q6ZSR9 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46
NUDT1 P36639 1/20 0.44
MAP4K3 Q8IVH8 1/20 0.44
ALK Q9UM73 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
SCHEMBL2844235 0.98 MET (0.84) METMAP4K2MAP3K1AAK1Q6ZSR9
Hydrochloric Acid SCHEMBL2844939 0.98 MET (0.83) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL2846148 0.92 MET (0.74) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL30452784 0.90 MET (1.00) METMAP4K2MAP3K1AAK1MAP4K5
SCHEMBL487888 0.90 MET (1.00) METMAP4K2MAP3K1AAK1MAP4K5
Hydrochloric Acid SCHEMBL2840128 0.87 MET (0.65) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL13412111 0.86 MET (0.65) METMAP4K2MAP3K1AAK1Q6ZSR9
SCHEMBL488118 0.85 MET (0.91) METMAP4K2MAP3K1AAK1MAP4K5
SCHEMBL30453588 0.85 MET (0.91) METMAP4K2MAP3K1AAK1MAP4K5
SCHEMBL13412110 0.85 MET (0.64) METMAP4K2MAP3K1AAK1Q6ZSR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063031-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2010-03-11 US claimed
EP-2120578-A1 KINASE INHIBITOR COMPOUNDS Xcovery, INC. (US) 2009-11-25 EP claimed
WO-2008088881-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-07-24 WO claimed
US-8551995-B2 (4-{6-Amino-5-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridazin-3-yl}-phenyl)-morpholin-4-yl-methanone; useful in treating disorders related to abnormal protein kinase activities such as cancer XCOVERY HOLDING COMPANY, LLC (US) 2013-10-08 US disclosed
US-20100063031-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2010-03-11 US disclosed
EP-2120578-A1 KINASE INHIBITOR COMPOUNDS Xcovery, INC. (US) 2009-11-25 EP disclosed
WO-2008088881-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-07-24 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 (1 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-20100063031-A1 KINASE INHIBITOR COMPOUNDS MAP4K2, MAP3K5, MAP3K15 MET 1412/4885MAP4K2 1/4885MAP3K1 9/4885

“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.