Sugi Predict

Sugi Predict / Compounds / Hydrochloric Acid

Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2037650

Cc1cccn2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc12.[Cl-]

nearest known ligand 0.49

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 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 14/20 0.49
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
Hydrochloric Acid SCHEMBL2034038 0.83 PDE10A (0.50) PDE10AJAK2JAK3PTK2
Hydrochloric Acid SCHEMBL2037603 0.79 PDE10A (0.49) PDE10A
Hydrochloric Acid SCHEMBL7511324 0.78 PDE10A (0.43) PDE10ANPC1RAB9AKDM4EALDH1A1
SCHEMBL10271981 0.76 PDE10A (0.51) PDE10AJAK2JAK3PTK2NPC1
Hydrochloric Acid SCHEMBL7511480 0.75 HTR2A (0.37) PDE10ARAB9AKDM4ESMN1; SMN2TP53
SCHEMBL2038588 0.74 PDE10A (0.50) PDE10AJAK2JAK3PTK2NPC1
Hydrochloric Acid SCHEMBL7453493 0.74 PDE10A (0.54) PDE10AKDM4ESMN1; SMN2MAPT
SCHEMBL14124016 0.73 PDE10A (0.50) PDE10AJAK2JAK3PTK2NPC1
SCHEMBL15372442 0.73 PDE10A (0.50) PDE10AJAK2JAK3PTK2NPC1
Hydrochloric Acid SCHEMBL7509327 0.73 PDE10A (0.51) PDE10A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669029-B2 Heteroaromatic phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2017-06-06 — — US disclosed
US-20150290191-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-10-15 — — US disclosed
US-9096589-B2 Heteroaromatic phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-08-04 — — US disclosed
US-8927738-B2 2-arylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-01-06 — — US disclosed
EP-2513107-B1 HETEROAROMATIC PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-07-30 — — EP disclosed
US-8785653-B2 (3-aryl-1H-1,2,4-triazol-5-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2014-07-22 — — US disclosed
EP-2513105-B1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-05-14 — — EP disclosed
EP-2513106-B1 HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2013-11-06 — — EP disclosed
US-20130289038-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-10-31 — — US disclosed
US-20130281459-A1 Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors H. LUNDBECK A/S (DK) 2013-10-24 — — US disclosed
US-8501797-B2 (2-aryl-1H-imidazol-4-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2013-08-06 — — US disclosed
US-20120309714-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-12-06 — — US disclosed
US-20120309764-A1 Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-12-06 — — US disclosed
US-20120302548-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-11-29 — — US disclosed
EP-2513107-A1 HETEROAROMATIC PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2012-10-24 — — EP disclosed
EP-2513106-A1 HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2012-10-24 — — EP disclosed
EP-2513105-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2012-10-24 — — EP disclosed
WO-2011072697-A1 HETEROAROMATIC ARYL TRIAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 — — WO disclosed
WO-2011072694-A1 HETEROAROMATIC PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 — — WO disclosed
WO-2011072696-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 — — 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 (6 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-20120309714-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors PDE10A, PDE3B, PDE4A PDE10A 1/4885JAK2 1750/4885JAK3 1429/4885
US-20130289038-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE12, PDE3B, PDE5A PDE10A 5/4885JAK2 1217/4885JAK3 836/4885
US-20130281459-A1 Heteroaromatic Aryl Triazole Derivatives as PDE10A Enzyme Inhibitors PDE5A, PDE3B, PDE3A PDE10A 5/4885JAK2 1859/4885JAK3 894/4885
US-20120309764-A1 Heteroaromatic aryl triazole derivatives as PDE10A enzyme inhibitors PDE5A, PDE3B, PDE3A PDE10A 5/4885JAK2 1859/4885JAK3 894/4885
US-20150290191-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors PDE10A, PDE3B, PDE12 PDE10A 1/4885JAK2 1841/4885JAK3 1539/4885
US-20120302548-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE12, PDE3B, PDE5A PDE10A 5/4885JAK2 1217/4885JAK3 836/4885

“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.